rolodine
- 中文别名：罗咯定
- 中文释义：罗咯定;N-苄基-2-甲基-7H-吡咯并[2,3-D]嘧啶-4-胺
- 英文别名：N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;
Rolodina [INN-Spanish];
benzyl-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amine;
Rolodinum [INN-Latin];
BW 58 271;
ROLODINE;
Rolodin
- CAS No.：1866-43-9
- 分子式：
C14H14N4
- 分子量：238.29
- 精确分子量：238.12200
- PSA：53.60000
- InChI：The Key: HPZHFGBKCGWNGN-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.289g/cm3
- 沸点：
- 382.8ºC at 760mmHg
- 闪点：
- 185.3ºC
- 折射率：
- 1.728
- 蒸汽压：
- 4.62E-06mmHg at 25°C
安全信息
- 密度：
- 1.289g/cm3
- 沸点：
- 382.8ºC at 760mmHg
- 闪点：
- 185.3ºC
- 折射率：
- 1.728
- 蒸汽压：
- 4.62E-06mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UY8925000
- CHEMICAL NAME :
- 7H-Pyrrolo(2,3-d)pyrimidine, 4-(benzylamino)-2-methyl-
- CAS REGISTRY NUMBER :
- 1866-43-9
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C14-H14-N4
- MOLECULAR WEIGHT :
- 238.32
- WISWESSER LINE NOTATION :
- T56 BM GN INJ FM1R& H1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 88 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,297,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 24 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,297,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11762
海关数据
中国海关编码：2933990090
- 概述：
- 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税: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
- 摘要/Summary：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff: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）:2.9
2.氢键供体数量:2
3.氢键受体数量:3
4.可旋转化学键数量:3
5.互变异构体数量:17
6.拓扑分子极性表面积:53.6
7.重原子数量:18
8.表面电荷:0
9.复杂度:265
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
热门化工词典词汇
- m-Terphenyl间三联苯
- 1-N-BOC-4-(4-AMINOBENZYL) PIPERIDINEN-Boc哌啶-4-对氨基甲苯
- tert-Nonyl polysulfide叔壬基聚硫化物
- 1,5-Naphthalenedisulfonicacid,2-[2-[8-[[4-[(3-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulf苯甲亚胺酸,3-溴-4-甲氧基-,乙基酯
- 3,5-Methanocyclopenta[b]pyrrole-7-carboxylicacid, 6-aminooctahydro-2-oxo-2-氨基-5-氧代-4-氮杂三环[4.2.1.03,7]壬烷-9-羧酸
- 5-(2,4-Dichlorophenyl)-2-furoic acid5-(2,4-二氯苯基)-2-糠酸
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-1-methyl-5-(2-penten-1-yl)-, sodium salt (1:1)5-乙基-1-甲基-5-(2-戊烯基)-2-钠氧基-4,6(1H,5H)-嘧啶二酮
- 2,2,5,5-tetraphenyl-5H-2λ5-[1,2]azaphosphole-3,4-dicarboxylic acid dimethyl ester2,2,5,5-tetraphenyl-5H-2λ5-[1,2]azaphosphole-3,4-dicarboxylic acid dimethyl ester
- 29H,31H-Phthalocyanine,C,C,C,C-tetrakis[4-(1-methyl-1-phenylethyl)phenoxy]-四(4-枯基苯氧基)酞菁
- 2-Bromo-5-nitrofuran2-溴-5-硝基呋喃
