4838-96-4 (甲基2-(3,4,5-三甲氧基苯基)乙胺,methyl2-(3,4,5-trimethoxyphenyl)ethylamine)

CAS号:
4838-96-4
中文名称:
甲基2-(3,4,5-三甲氧基苯基)乙胺
英文名称:
methyl2-(3,4,5-trimethoxyphenyl)ethylamine
分子式:
C12H19NO3
分子量:
225.284163713455

甲基2-(3,4,5-三甲氧基苯基)乙胺(4838-96-4)名称与标识符

名称

英文别名:
methyl-(3,4,5-trimethoxy-phenethyl)-amine;methyl[2-(3,4,5-trimethoxy-phenyl)ethyl]amine;N-(2-(3,4,5-trimethoxyphenyl)ethyl)-N-methylamine;N-methyl-3,4,5-trimethoxybenzeneethanamine;N-methyl-3,4,5-trimethoxyphenethylamine;N-methyl-N-(3,4,5-trimethoxy-beta-phenethyl)amine;N-methyl-N-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-amine;N-Methylmescaline;N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;methyl2-(3,4,5-trimethoxyphenyl)ethylamine;4838-96-4;Benzenethanamine, 3,4,5-trimethoxy-N-methyl-;Mescaline, N-methyl-;Benzeneethanamine, 3,4,5-trimethoxy-N-methyl-;Benzenethanamine,3,4,5-trimethoxy-N-methyl-;Phenethylamine, 3,4,5-trimethoxy-N-methyl-;EN300-1853035;n-Methyl-2-(3,4,5-trimethoxyphenyl)ethan-1-amine;CS-0302462;CHEMBL100531;C08310;Benzeneethanamine,3,4,5-trimethoxy-N-methyl-;methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amine;Q15425805;AC1L3CNA;UNII-LNN57P8WGG;N-Methyl-2-(3,4,5-trimethoxyphenyl)ethanamine #;LNN57P8WGG;3,4,5-TRIMETHOXY-N-METHYLBENZENEETHANAMINE;(METHYL)(2-(3,4,5-TRIMETHOXYPHENYL)ETHYL)AMINE;AKOS000277427;SCHEMBL4320087;DTXSID00197505;N-methyl Mescaline (hydrochloride);CHEBI:7319;

标识符

InChIKey:
OTXANOLOOUNVSR-UHFFFAOYSA-N
Inchi:
1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3
SMILES:
O(C)C1C(=C(C=C(C=1)CCNC)OC)OC

甲基2-(3,4,5-三甲氧基苯基)乙胺(4838-96-4)物化性质

计算特性

  • 精确分子量 : 225.13649347g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 225.13649347g/mol
  • 重原子数量 : 16
  • 复杂度 : 175
  • 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) : 1.2
  • 拓扑分子极性表面积 : 39.7Ų

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