b-Alanine, N-(aminoiminomethyl)-
- 中文别名：胍基丙酸
- 中文释义：beta-丙酸胍;胍基丙酸
- 英文别名：3-guanidinopropanoic acid;
beta-Guanidinopropionic acid;
Guanidinopropionic acid;
3-Guanidinopropionic acid;
3-Guanidinopropanoic acid;
n-carbamimidoyl-|A-alanine;
3-Guanidinopropanoate;
β-Guanidinopropionic acid;
3-guanidinepropionic acid;
3-carbamimidamidopropanoic acid;
3-(diaminomethylideneamino)propanoic acid
- CAS No.：353-09-3
- 分子式：C4H9N3O2
- 分子量：131.13
- 精确分子量：131.06900
- PSA：99.20000
- MDL：MFCD00045939
- InChI：InChI=1/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
- 分子结构式：
物化性质
- 外观与性状：
- 白色结晶粉末
- 密度：
- 1.46 g/cm3
- 熔点：
- 222 °C (dec.)(lit.)
- 沸点：
- 356.7ºC
- 闪点：
- 169.5ºC
- 折射率：
- 1.574
- 其它信息：
一、物性数据
性状：不可用
密度（g/mL,25/4℃）：不可用
相对蒸汽密度（g/mL,空气=1）：不可用
熔点（ºC）：222
沸点（ºC,常压）：不可用
沸点（ºC,5.2kPa）：不可用
折射率：不可用
闪点（ºC）：不可用
比旋光度（º）：不可用
自燃点或引燃温度（ºC）：不可用
蒸气压（kPa,25ºC）：不可用
饱和蒸气压（kPa,60ºC）：不可用
燃烧热（KJ/mol）：不可用
临界温度（ºC）：不可用
临界压力（KPa）：不可用
油水（辛醇/水）分配系数的对数值：不可用
爆炸上限（%,V/V）：不可用
爆炸下限（%,V/V）：不可用
溶解性：不可用
安全信息
- 外观与性状：
- 白色结晶粉末
- 密度：
- 1.46 g/cm3
- 熔点：
- 222 °C (dec.)(lit.)
- 沸点：
- 356.7ºC
- 闪点：
- 169.5ºC
- 折射率：
- 1.574
- 其它信息：
一、物性数据
性状：不可用
密度（g/mL,25/4℃）：不可用
相对蒸汽密度（g/mL,空气=1）：不可用
熔点（ºC）：222
沸点（ºC,常压）：不可用
沸点（ºC,5.2kPa）：不可用
折射率：不可用
闪点（ºC）：不可用
比旋光度（º）：不可用
自燃点或引燃温度（ºC）：不可用
蒸气压（kPa,25ºC）：不可用
饱和蒸气压（kPa,60ºC）：不可用
燃烧热（KJ/mol）：不可用
临界温度（ºC）：不可用
临界压力（KPa）：不可用
油水（辛醇/水）分配系数的对数值：不可用
爆炸上限（%,V/V）：不可用
爆炸下限（%,V/V）：不可用
溶解性：不可用
毒理性
- 毒理学数据：
二、毒理学数据：
急性毒性：不可用。
- 生态数据：
三、生态学数据：
1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。
MSDS
Material Safety Data Sheet
Section1. Identification of the substance
Product Name:3-Guanidinopropionic acid
Synonyms:
Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
Section3. Composition/information on ingredients.
Ingredient name:3-Guanidinopropionic acid
CAS number:353-09-3
Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.
Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.
Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels, refrigerated.
Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C4H9N3O2
Molecular weight: 131.1
Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.
Section11. Toxicological information
No data.
Section12. Ecological information
No data.
Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.
Section14. Transportation information
Non-harzardous for air and ground transportation.
Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2925290090
- 概述：
- 2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：29.56
2、 摩尔体积（m3/mol）：89.5
3、 等张比容（90.2K）：254.1
4、 表面张力（dyne/cm）：65.0
5、 极化率（10-24cm3）：11.71
计算化学数据
1.疏水参数计算参考值（XlogP）:-1.8
2.氢键供体数量:3
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:2
6.拓扑分子极性表面积102
7.重原子数量:9
8.表面电荷:0
9.复杂度:128
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
