产品供求
5-甲基-N,N-二甲基色胺
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
- 上游产品
5-甲基-N,N-二甲基色胺 基本信息
- 中文名称:
- 5-甲基-N,N-二甲基色胺
- 中文别名:
- 5-甲基-N,N-二甲基色胺;
1H-吲哚-3-乙胺,N,N,5-三甲基
- 英文名称:
- 1H-Indole-3-ethanamine,N,N,5-trimethyl-
- 英文别名:
- N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine;
INDOLE,3-(2-(DIMETHYLAMINO)ETHYL)-5-METHYL;
N,N-Dimethyl-5-methyltryptamine;
1H-Indole-3-ethanamine,N,N,5-trimethyl;
5,N,N-Trimethyl-tryptamin;
dimethyl-[2-(5-methyl-indol-3-yl)-ethyl]-amine;
N,N-Dimethyl-5-methyl-1H-indole-3-ethanamine;
5-METHYL-N,N-DIMETHYLTRYPTAMINE;
3-(2-Dimethylaminoethyl)-5-methylindole
- CAS No.:
- 22120-39-4
- 分 子 式:
- C13H18N2
- 分 子 量:
- 202.33
- 精确分子量:
- 202.14700
- PSA:
- 19.03000
- InChI:
- The Key: NCGJLYBZSJSCIC-UHFFFAOYSA-N
- 风险术语:
- 20
- 安全术语:
- Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式:
-
- SDS:
- 查看
5-甲基-N,N-二甲基色胺 物化性质
- 密度:
- 1.057g/cm3
- 沸点:
- 348.2ºC at 760mmHg
- 闪点:
- 164.4ºC
- 折射率:
- 1.605
- 蒸汽压:
- 5.11E-05mmHg at 25°C
5-甲基-N,N-二甲基色胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NL7420000
- CHEMICAL NAME :
- Indole, 3-(2-(dimethylamino)ethyl)-5-methyl-
- CAS REGISTRY NUMBER :
- 22120-39-4
- BEILSTEIN REFERENCE NO. :
- 0474715
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H18-N2
- MOLECULAR WEIGHT :
- 202.33
- WISWESSER LINE NOTATION :
- T56 BMJ D2N1&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 :
- 110 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 :
- 71 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#01632
5-甲基-N,N-二甲基色胺 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-N,N-二甲基色胺 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:1
3.氢键受体数量:1
4.可旋转化学键数量:3
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:15
8.表面电荷:0
9.复杂度:203
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