6656-13-9 (苯乙胺,4-羟基-N,N,N-三甲基-,Benzeneethanaminium,4-hydroxy-N,N,N-trimethyl-)

CAS号:
6656-13-9
中文名称:
苯乙胺,4-羟基-N,N,N-三甲基-
英文名称:
Benzeneethanaminium,4-hydroxy-N,N,N-trimethyl-
分子式:
C11H18NO
分子量:
180.266723155975

苯乙胺,4-羟基-N,N,N-三甲基-(6656-13-9)名称与标识符

名称

中文别名:
4-羟基-N,N,N-三甲基-苯乙铵;
英文别名:
Benzeneethanaminium,4-hydroxy-N,N,N-trimethyl-;2-(4-Hydroxyphenyl)-N,N,N-trimethylethanaminium;candicine;4-(2-(Dimethylamino)ethyl)phenol hydrochloride;4-(2-Dimethylamino-aethyl)-phenol, Hydrochlorid;4-(2-dimethylamino-ethyl)-phenol, hydrochloride;Anhaline hydrochloride;Candicin (ium);EINECS 227-892-6;Hordenin*HCl;hordenine hydrochloride;Hordeninhydrochlorid;Hordenin-methohydroxyd;N,N-dimethyltyram;N,N-Dimethyltyramine hydrochloride;N-Methyl-hordenin;Peyocactine hydrochloride;p-Hordenine hydrochloride;NCGC00246201-01;5V2TJ5H9Z8;Candicin;2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium;FT-0737753;2-(4-hydroxyphenyl)ethyl-trimethyl-azanium;iodide;cid_15127809;Q5031710;AMMONIUM, (p-HYDROXYPHENETHYL)TRIMETHYL-;CHEBI:3350;AKOS030573561;CHEMBL1186075;E87162;SMR000386994;4-Hydroxy-N,N,N-trimethylbenzeneethanaminium;2-(4-hydroxyphenyl)ethyl-trimethylazanium;iodide;UNII-5V2TJ5H9Z8;NS00094418;Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-;SCHEMBL9561478;[2-(4-hydroxyphenyl)ethyl]trimethylazanium;BDBM73699;BRN 4133224;2-(4-hydroxyphenyl)ethyl-trimethylammonium;iodide;DTXSID80901642;6656-13-9;2-(4-hydroxyphenyl)ethyl-trimethylazanium;MLS001048976;2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium;iodide;DTXCID50946020;Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-(9CI);STL581350;

标识符

InChIKey:
PTOJXIKSKSASRB-UHFFFAOYSA-O
Inchi:
1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1
SMILES:
OC1C=CC(=CC=1)CC[N+](C)(C)C

苯乙胺,4-羟基-N,N,N-三甲基-(6656-13-9)物化性质

实验特性

  • LogP : 1.64090
  • 沸点 : 189ºC(lit.)
  • 闪点 : 163 °F
  • 密度 : 0.928 g/mL at 25ºC(lit.)

计算特性

  • 精确分子量 : 215.108
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 215.108
  • 重原子数量 : 14
  • 复杂度 : 143
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : 2.1
  • 拓扑分子极性表面积 : 20.2A^2

苯乙胺,4-羟基-N,N,N-三甲基-(6656-13-9)相关文献