atrazine


  • 中文别名:阿特拉津
  • 中文释义:莠去津;阿特拉津;6-氯-N2-乙基-N4-异丙基-1,3,5-三嗪-2,4-二胺;2-氯-4-乙胺基-6-异丙氨基-1,3,5-三嗪;园保净;莠去尽;阿特拉嗪
  • 英文别名:atrazine;
    Cyazin;
    2-chloro-4-ethylamino-6-isopropylamine-s-triazine;
    A 361;
    2-chloro-4-ethylamino-6-isopropylamino-s-triazine;
    BICEP;
    2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine;
    6-chloro-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine;
    Fogard;
    Inakor;
    Atrex;
    Aatram;
    2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine;
    ATZ;
    6-chloro-N2-ethyl-N4-isopropyl-1,3,5-triazine-2,4-diamine;
    Wonuk;
    6-chloro-N-ethyl-N’-(1-methylethyl)-1,3,5-triazine-2,4-diamine;
    2-chloro-6-ethylamino-4-isopropylamino-1,3,5-triazine;
    Atred;
    Atrazine 
  • CAS No.:1912-24-9
  • 分子式:C8H14ClN5
  • 分子量:215.68
  • 精确分子量:215.09400
  • PSA:62.73000
  • MDL:MFCD00041810
  • InChI:InChI=1/C8H16ClN5/c1-4-10-7-5-8(11-6(2)3)13-14(9)12-7/h5-6,11,13H,4H2,1-3H3,(H,10,12)
  • 分子结构式:

物化性质

外观与性状:
无色晶体或白色粉末
密度:
1.187
熔点:
175°C
沸点:
200°C
闪点:
11 °C
水溶解性:
Slightly soluble. 0.007 g/100 mL
折射率:
1.589
蒸汽压:
0.00156mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

致畸、致癌试验阴性。对鸟类和鱼类低毒。对眼睛无刺激性,对皮肤有轻微刺激。

其它信息:

1. 性状:白色结晶。

2. 密度(g/mL,20ºC):1.2

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):175~177

5. 沸点(ºC):200

6. 沸点(ºC,20mmHg):未确定

7. 折射率:未确定

8. 闪点(°C):11

9. 比旋光度(ºF):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(kPa,25ºC):4.0×10-5

12. 饱和蒸气压(kPa,40ºC):0.399×10-7(20℃)

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:难溶于水的

安全信息

外观与性状:
无色晶体或白色粉末
密度:
1.187
熔点:
175°C
沸点:
200°C
闪点:
11 °C
水溶解性:
Slightly soluble. 0.007 g/100 mL
折射率:
1.589
蒸汽压:
0.00156mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

致畸、致癌试验阴性。对鸟类和鱼类低毒。对眼睛无刺激性,对皮肤有轻微刺激。

其它信息:

1. 性状:白色结晶。

2. 密度(g/mL,20ºC):1.2

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):175~177

5. 沸点(ºC):200

6. 沸点(ºC,20mmHg):未确定

7. 折射率:未确定

8. 闪点(°C):11

9. 比旋光度(ºF):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(kPa,25ºC):4.0×10-5

12. 饱和蒸气压(kPa,40ºC):0.399×10-7(20℃)

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:难溶于水的

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XY5600000
CHEMICAL NAME :
s-Triazine, 2-chloro-4-ethylamino-6-isopropylamino-
CAS REGISTRY NUMBER :
1912-24-9
LAST UPDATED :
199806
DATA ITEMS CITED :
83
MOLECULAR FORMULA :
C8-H14-Cl-N5
MOLECULAR WEIGHT :
215.72
WISWESSER LINE NOTATION :
T6N CN ENJ BMY1&1 DM2 FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - species unspecified
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Mammal - species unspecified
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
672 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5200 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>12500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
235 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
850 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
626 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
7500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
33572 mg/kg/22W-I
TOXIC EFFECTS :
Liver - other changes Blood - pigmented or nucleated red blood cells Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2800 mg/kg/14D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - proteinuria Kidney, Ureter, Bladder - other changes in urine composition Blood - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4200 mg/kg/7D-I
TOXIC EFFECTS :
Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mg/m3/26W-I
TOXIC EFFECTS :
Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2100 mg/kg/21D-I
TOXIC EFFECTS :
Liver - changes in liver weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
25 gm/kg/25D-C
TOXIC EFFECTS :
Blood - other changes Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - pig
DOSE/DURATION :
38 mg/kg/19D-I
TOXIC EFFECTS :
Endocrine - changes in luteinizing hormone Endocrine - effect on menstrual cycle
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
33775 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9000 mg/kg/78W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
7 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
700 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
720 mg/kg
SEX/DURATION :
female 10 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Effects on Newborn - behavioral
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2400 mg/kg
SEX/DURATION :
female 3-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
6 gm/kg
SEX/DURATION :
female 3-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
418 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
975 mg/kg
SEX/DURATION :
female 7-19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
975 mg/kg
SEX/DURATION :
female 7-19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
Specific locus test
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Dominant lethal test
TYPE OF TEST :
Dominant lethal test
TYPE OF TEST :
DNA damage
TYPE OF TEST :
Mutation test systems - not otherwise specified
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Dominant lethal test

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Rodent - hamster Lung
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 74,77,1980 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 5 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,441,1991 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,441,1991 IARC Cancer Review:Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,441,1991 TOXICOLOGY REVIEW CNDQA8 Cahiers de Nutrition et de Dietetique. (Editions Meteore, 42, rue du Louvre, 75001 Paris, France) V.1- 1966- Volume(issue)/page/year: 10(3),43,1975 TOXICOLOGY REVIEW DTTIAF Deutsche Tieraerztliche Wochenschrift. (Hanover, Fed. Rep. Ger.) V.1-77, 1893-1970. Volume(issue)/page/year: 80,485,1973 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 5 mg/m3 JAN 1993 OEL-AUSTRIA:TWA 2 mg/m3 JAN 1993 OEL-BELGIUM:TWA 5 mg/m3 JAN 1993 OEL-DENMARK:TWA 2 mg/m3 JAN 1993 OEL-FINLAND:TWA 10 mg/m3;STEL 20 mg/m3 JAN 1993 OEL-FRANCE:TWA 5 mg/m3 JAN 1993 OEL-GERMANY:TWA 2 mg/m3 (total dust) JAN 1993 OEL-THE NETHERLANDS:TWA 5 mg/m3 JAN 1993 OEL-RUSSIA:STEL 2 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 2 mg/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 10 mg/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ATRAZINE-air:10H TWA 5 mg/m3REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 18420 No. of Facilities: 165 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 331 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 18420 No. of Facilities: 44 (estimated) No. of Industries: 1 No. of Occupations: 9 No. of Employees: 1001 (estimated) No. of Female Employees: 123 (estimated)
毒理学数据:

大鼠经口LD50为3000mg/kg,小鼠为1750mg/kg,兔经皮LD50为7500mg/kg。以含1000mg/kg的饲料喂养大鼠2年,未见异常。

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

MSDS

国标编号: 61898
CAS: 1912-24-9
中文名称: 阿特拉津
英文名称: Atrazine;2-Chloro-4-ethylamino-6-isopropylamino-s-triazine
别 名: 2-氯-4-乙氨基-6-异丙氨基-1,3,5-三嗪;莠去津
分子式: C8H14ClN5
分子量: 215.72
熔 点: 171~174℃
密 度: 相对密度(水=1)1.2(20
蒸汽压:
溶解性: 难溶于水,微溶于多数有机溶剂
稳定性: 稳定
外观与性状: 纯品为无色结晶,原药为白色粉末
危险标记: 15(有害品,远离食品)
用 途: 农用除草剂

2.对环境的影响:

一、健康危害

侵入途径:吸入、食入、经皮吸收。  健康危害:本品对皮肤和眼睛有刺激作用。属低毒除草剂。动物实验致癌、致畸为阳性。对人有致突变作用。

二、毒理学资料及环境行为

急性毒性:LD50672mg/kg(大鼠经口);850mg/kg(小鼠经口);750mg/kg(兔经口);7500mg/kg(兔经皮)  刺激性:人经皮500mg,中等刺激;人经眼100mg,严重刺激。

危险特性:不易燃烧。受高热分解,放出有毒的烟。  燃烧(分解)产物:一氧化碳、二氧化碳、氮氧化物、氯化氢。

3.现场应急监测方法:

4.实验室监测方法:

气相色谱法《水和废水标准检验方法》15版,中国建筑工业出版社,1985年高效液相色谱法(中国环境监测总站,水质)

5.环境标准:
前苏联 车间空气中有害物质的最高容许浓度2mg/m3
前苏联(1978)环境空气中最高容许浓度0.02mg/m3
中国(GHZB1-1999)地面水环境质量标准(I、II、III类水域)0.003mg/L
前苏联(1978)渔业用水中最高容许浓度5μg/L
6.应急处理处置方法:

一、泄漏应急处理

隔离泄漏污染区,周围设警告标志,建议应急处理人员戴自给式呼吸器,穿化学防护服。不要直接接触泄漏物,小心扫起,避免扬尘,运至废物处理场所。用水刷洗泄漏污染区,经稀释的污水放入废水系统。如大量泄漏,收集回收或无害处理后废弃。

二、防护措施

呼吸系统防护:生产操作或农业使用时,必须佩戴防毒口罩。紧急事态抢救或逃生时,应该佩戴自给式呼吸器。  眼睛防护:戴化学安全防护眼镜。  防护服:穿相应的防护服。  手防护:戴防护手套。  其它:工作现场禁止吸烟、进食和饮水。工作后,淋浴更衣。注意个人清洁卫生。实行就业前和定期的体检。

三、急救措施

皮肤接触:用肥皂水及清水彻底冲洗。就医。  眼睛接触:拉开眼睑,用流动清水冲洗15分钟。就医。  吸入:脱离现场至空气新鲜处。就医。  食入:误服者,饮适量温水,催吐。洗胃。就医。

灭火方法:泡沫、干粉、砂土。

海关数据

中国海关编码:2933699011

概述:
2933699011 西玛津,莠去津,扑灭津,草达津等〔包括特丁津,氰草津,环丙津,甘扑津,甘草津〕。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
监管条件:
S.进出口农药登记证明
摘要/Summary:
2933699011 2-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:9

6.拓扑分子极性表面积62.7

7.重原子数量:14

8.表面电荷:0

9.复杂度:166

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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