1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanamine,N1,N1,N3,N3,N5,N5-hexamethyl-
- 中文别名：1,3,5-三(二甲基胺丙基)-1,3,5-六氢化三嗪
- 中文释义：1,3,5-三(二甲基胺丙基)-1,3,5-六氢化三嗪;1,3,5-三(3-二甲氨基丙基)六氢-S-三嗪;N,N,N’,N’,N’’,N’’-六甲基-1,3,5-三嗪-1,3,5(2H,4H,6H)-三丙胺
- 英文别名：1,3,5-Tris[3-(Dimethylamino)Propyl]Hexahydro-1,3,5-Triazine;
3,3',3''-(1,3,5-Triazinane-1,3,5-triyl)tris(N,N-dimethylpropan-1-amine);
3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
- CAS No.：15875-13-5
- 分子式：
C18H42N6
- 分子量：342.57
- 精确分子量：342.34700
- PSA：19.44000
- InChI：InChI=1/C18H42N6/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6/h7-18H2,1-6H3
- 分子结构式：
物化性质
- 密度：
- 0.92
- 沸点：
- 141-142ºC
- 闪点：
- >110ºC
- 折射率：
- 1.478
- 蒸汽压：
- 4.88E-07mmHg at 25°C
安全信息
- 密度：
- 0.92
- 沸点：
- 141-142ºC
- 闪点：
- >110ºC
- 折射率：
- 1.478
- 蒸汽压：
- 4.88E-07mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XY9491300
- CHEMICAL NAME :
- s-Triazine, hexahydro-1,3,5-tris(dimethylaminopropyl)-
- CAS REGISTRY NUMBER :
- 15875-13-5
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C18-H42-N6
- MOLECULAR WEIGHT :
- 342.66
- WISWESSER LINE NOTATION :
- T6N CN ENTJ A3N1&1 C3N1&1 E3N1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3250 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2020 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9824 No. of Facilities: 6 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 36 (estimated) No. of Female Employees: 6 (estimated)
海关数据
中国海关编码：2933699090
- 概述：
- 2933699090 其他结构上含非稠合三嗪环化合物. 增值税率:17.0% 退税率:9.0% 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：
- 2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。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）:1.6
2.氢键供体数量:0
3.氢键受体数量:6
4.可旋转化学键数量:12
5.互变异构体数量:无
6.拓扑分子极性表面积:19.4
7.重原子数量:24
8.表面电荷:0
9.复杂度:248
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
