Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)N(CCCl)CCCl
- InChIKey
- BSXSSXPCEVBUSF-UHFFFAOYSA-N
- 分子式
- C8H17Cl2N
- 平均分子量
- 198.13 g/mol
- 单同位素质量
- 197.0738049
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 3.2 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 5
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 92
ALIASES
名称与别名
10125-86-7Triethylamine, 2',2''-dichloro-1,1-dimethyl-DTXSID10143811RefChem:1100391DTXCID7066302N,N-bis(2-chloroethyl)-2-methylpropan-2-amine2',2''-Dichloro-1,1-dimethyltriethylamineNSC 57249BRN 17400492-Propanamine, N,N-bis(2-chloroethyl)-2-methyl-NSC57249N,N-Bis(2-chloroethyl)-1,1-dimethylethan-1-amine3-04-00-00323 (Beilstein Handbook Reference)2',1-(dimethyltriethyl)amineSCHEMBL3325654N-t-butylbis(2-chloroethyl)amineBSXSSXPCEVBUSF-UHFFFAOYSA-Nbis-(2-chloroethyl)-tert-butylamineN-tert-butylbis(2-chloroethyl)amineNSC-57249
REACTIONS