5-甲基芦竹碱
- 中文名称:
- 5-甲基芦竹碱
- 中文别名:
- 5-甲基芦竹碱
- 英文名称:
- 1H-Indole-3-methanamine,N,N,5-trimethyl-
- 英文别名:
- N,N-dimethyl-1-(5-methyl-1H-indol-3-yl)methanamine;
6-Methylgramide;
5-methyl gramine
- CAS No.:
- 30218-58-7
- 分 子 式:
-
C12H16N2
- 分 子 量:
- 188.27
- 精确分子量:
- 188.13100
- PSA:
- 19.03000
- InChI:
- The Key: GXCDTJAVATWRFZ-UHFFFAOYSA-N3
- 分子结构式:
-
- SDS:
- 查看
5-甲基芦竹碱 物化性质
- 密度:
- 1.077g/cm3
- 沸点:
- 311.5ºC at 760mmHg
- 闪点:
- 142.2ºC
- 折射率:
- 1.618
5-甲基芦竹碱 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NL7705000
- CHEMICAL NAME :
- Indole, 3-(dimethylamino)methyl-5-methyl-
- CAS REGISTRY NUMBER :
- 30218-58-7
- BEILSTEIN REFERENCE NO. :
- 0144975
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H16-N2
- MOLECULAR WEIGHT :
- 188.30
- WISWESSER LINE NOTATION :
- T56 BMJ D1N1&1 G1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 87 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSYPAG Psychopharmacologia (Berlin). (Berlin, Ger.) V.1-46, 1959-76. For
publisher information, see PSCHDL. Volume(issue)/page/year: 16,385,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32 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#12245
5-甲基芦竹碱 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%
5-甲基芦竹碱 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):2.2
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积:19
7.重原子数量:14
8.表面电荷:0
9.复杂度:191
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