28779-19-3 ((1,2-Ethanediamine,N-(2-aminoethyl)-, monododecyl deriv. (9CI))

快速询单

结构式：

1,2-Ethanediamine,N-(2-aminoethyl)-, monododecyl deriv. (9CI)MOL文件

CAS号：

28779-19-3

英文名称：

1,2-Ethanediamine,N-(2-aminoethyl)-, monododecyl deriv. (9CI)

分子式：

C₁₆H₃₇N₃

分子量：

271.485084295273

1,2-Ethanediamine,N-(2-aminoethyl)-, monododecyl deriv. (9CI)(28779-19-3)名称与标识符

名称

英文别名：

1,2-Ethanediamine,N-(2-aminoethyl)-, monododecyl deriv. (9CI);Dodecyldiethylenetriamine;1, N-(2-aminoethyl)-N'-dodecyl-;1,2-Ethanediamine, N1-(2-aminoethyl)-N2-dodecyl-;UNII-D080Q09TBO;DTXSID9042207;1,2-Ethanediamine, N-(2-aminoethyl)-N'-dodecyl-;N-Lauryl-diethylenetriamine;N-1-Dodecyldiethylenetriamine;RRHLGOOTLYHTEW-UHFFFAOYSA-N;N-Lauryldiethylenetriamine;NS00030138;7-lauryl-1,4,7-triazaheptane;Diethylenetriamine, 1-dodecyl-;N-(2-Aminoethyl)-N'-dodecylethylenediamine;NSC97423;D080Q09TBO;Q27275931;NSC-97423;NSC 97423;EINECS 223-035-5;LAURYLDIETHYLENETRIAMINE, N-;28779-19-3;N-Dodecyldiethylenetriamine;1-Dodecyldiethylenetriamine;SCHEMBL4363630;3700-59-2;EINECS 249-212-7;

标识符

InChIKey：

RRHLGOOTLYHTEW-UHFFFAOYSA-N

Inchi：

1S/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h18-19H,2-17H2,1H3

SMILES：

N(CCNCCN)CCCCCCCCCCCC

1,2-Ethanediamine,N-(2-aminoethyl)-, monododecyl deriv. (9CI)(28779-19-3)物化性质

实验特性

PSA : 50.08
折射率 : 1.465
沸点 : 369.9°C at 760 mmHg
闪点 : 209.1°C
密度 : 0.864

计算特性

精确分子量 : 271.29901
氢键供体数量 : 3
氢键受体数量 : 3
可旋转化学键数量 : 16
同位素质量 : 271.299
重原子数量 : 19
复杂度 : 151
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 4
拓扑分子极性表面积 : 50.1A^2

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