15875-13-5

• 常用中文名：1,3,5-三(二甲基胺丙基)-1,3,5-六氢化三嗪
• 常用英文名：1,3,5-Tris[3-(Dimethylamino)Propyl]Hexahydro-1,3,5-Triazine
• CAS号：15875-13-5
• 分子式：C₁₈H₄₂N₆
• 分子量：342.566
• 发布时间：2018-12-09 09:46:00
• 更新时间：2024-01-04 12:43:31

名称

• 中文名: 1,3,5-三(二甲基胺丙基)-1,3,5-六氢化三嗪
• 英文名: 1,3,5-Tris[3-(Dimethylamino)Propyl]Hexahydro-1,3,5-Triazine
• 中文别名: 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: N,N',N''-Tris(dimethylaminopropyl) hexahydrotriazine; 3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine; MFCD00059766; EINECS 240-004-1; 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanamine, N,N,N,N,N,N-hexamethyl-; 3,3',3''-(1,3,5-Triazinane-1,3,5-triyl)tris(N,N-dimethyl-1-propanamine); 3,3',3''-(1,3,5-triazinane-1,3,5-triyl)tris(n,n-dimethylpropan-1-amine)

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 413.2±45.0 °C at 760 mmHg
• 分子式: C₁₈H₄₂N₆
• 分子量: 342.566
• 闪点: 170.1±24.4 °C
• 精确质量: 342.347107
• PSA: 19.44000
• LogP: 1.24
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.493
• 储存条件: 室温，干燥
• 计算化学:

  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

毒性和生态

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)

安全

• 危害码 (欧洲): C:Corrosive;
• 风险声明 (欧洲): R21;R34
• 安全声明 (欧洲): S26-S27-S36/37/39-S45
• 危险品运输编码: UN 2735
• RTECS号: XY9491300
• 海关编码: 2933699090

合成路线

50-00-0 109-55-7 ~% 15875-13-5

文献：WO2004/43938 A1, ; Page 4 ;

56536-32-4 ~% 15875-13-5

文献：WO2004/43938 A1, ; Page 4 ;

上下游产品

上游产品  3
50-00-0 109-55-7 56536-32-4
下游产品  0

海关

海关编码	2933699090
中文概述	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
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%