3-甲氨基吡啶
- 中文名称：
- 3-甲氨基吡啶
- 中文别名：
- 硫酸依色林;
硫酸毒豆碱
- 英文名称：
- N-Methyl-3-pyridinamine
- 英文别名：
- Eserine hemisulfate salt;
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate,sulfuric acid
- CAS No.：
- 64-47-1
- 分 子 式：
-
C6H8N2
- 分 子 量：
- 648.77
- 精确分子量：
- 648.29400
- PSA：
- 172.60000
- EINECS：
- 200-585-4
- BRN：
- 3828413
- InChI：
- The Key: LLIODTIILSCNOH-UHFFFAOYSA-N3
- 风险术语：
- R26/28
- 安全术语：
- S25S45
- 分子结构式：
-
- SDS：
- 查看
3-甲氨基吡啶 物化性质
- 沸点：
- 557.5ºC at 760 mmHg
- 闪点：
- 291ºC
- 其它信息：
1. 性状：不确定
2. 密度（g/mL,25/4℃）：不确定
3. 相对蒸汽密度（g/mL,空气=1）：不确定
4. 熔点（ºC）：不确定
5. 沸点（ºC,常压）：不确定
6. 沸点（ºC, 5.2kPa）：不确定
7. 折射率：不确定
8. 闪点（ºC）：不确定
9. 比旋光度（º）：不确定
10. 自燃点或引燃温度（ºC）：不确定
11. 蒸气压（kPa,25ºC）：不确定
12. 饱和蒸气压（kPa,60ºC）：不确定
13. 燃烧热（KJ/mol）：不确定
14. 临界温度（ºC）：不确定
15. 临界压力（KPa）：不确定
16. 油水（辛醇/水）分配系数的对数值：不确定
17. 爆炸上限（%,V/V）：不确定
18. 爆炸下限（%,V/V）：不确定
19. 溶解性：不确定
3-甲氨基吡啶 安全信息
- 包装等级：
- II
- 风险类别：
- 6.1(a)
- WGK_Germany：
- 3
德国有关水污染物质的分类清单
- 危险类别码：
- 26/28
- 安全说明：
- S25-S45
- RTECS号：
- UY8585000
- 安全标志：
- S25:避免接触眼睛。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
- 危险标志：
- T+
3-甲氨基吡啶 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UY8585000
- CAS REGISTRY NUMBER :
- 64-47-1
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 15
- MOLECULAR FORMULA :
- C30-H42-N6-O4.O4-S
- MOLECULAR WEIGHT :
- 646.84
- WISWESSER LINE NOTATION :
- T C556 BN DNTT&J B1 D1 G1 JQ &QVM1 &QSWQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 191 ng/kg
- TOXIC EFFECTS :
- Behavioral - hallucinations, distorted perceptions
Gastrointestinal - nausea or vomiting
Gastrointestinal - other changes
- REFERENCE :
- AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig,
Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC.
Volume(issue)/page/year: 53,313,1905
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil,
France) V.1- 1943- Volume(issue)/page/year: 11,286,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1621 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
4,S195,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 450 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 259,153,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1680 ug/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: -,137,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 510 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74.
For publisher information, see ARTODN. Volume(issue)/page/year: 29,39,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 700 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil,
France) V.1- 1943- Volume(issue)/page/year: 11,286,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 178 ug/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#03167
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1250 ug/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 44,95,1932
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1500 ug/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 44,95,1932
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher
information, see NSAPCC. Volume(issue)/page/year: 207,547,1949
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 325 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 44,95,1932
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- DOSE :
- 200 ug/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
Reproductive - Specific Developmental Abnormalities - urogenital system
Reproductive - Effects on Newborn - sex ratio
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc.,
2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961-
Volume(issue)/page/year: 62,1626,1973
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- DOSE :
- 200 ug/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc.,
2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961-
Volume(issue)/page/year: 62,1626,1973
3-甲氨基吡啶 分子结构与计算化学数据
计算化学数据
1、 氢键供体数量：4
2、 氢键受体数量：12
3、 可旋转化学键数量：4
4、 互变异构体数量：3
5、 拓扑分子极性表面积（TPSA）：164
6、 重原子数量：45
7、 表面电荷：0
8、 复杂度：484
9、 同位素原子数量：0
10、 确定原子立构中心数量：4
11、 不确定原子立构中心数量：0
12、 确定化学键立构中心数量：0
13、 不确定化学键立构中心数量：0
14、 共价键单元数量：3
