5238-52-8 (((3-Cyano-2-hydroxypropyl)trimethylammonium chloride)

CAS号:
5238-52-8
英文名称:
(3-Cyano-2-hydroxypropyl)trimethylammonium chloride
分子式:
C7H15ClN2O
分子量:
178.659800767899

(3-Cyano-2-hydroxypropyl)trimethylammonium chloride(5238-52-8)名称与标识符

名称

英文别名:
DL-Cyanocarnitine chloride;D,L-Carnitinenitrile chloride;D,L-Carnitinnitrilchlorid [German];(3-Cyano-2-hydroxypropyl)trimethylammonium chloride;D,L-(3-Cyano-2-hydroxypropyl)trimethylammonium chloride;Ammonium, (3-cyano-2-hydroxypropyl)trimethyl-, chloride, (+-)-;1-Propanaminium, 3-cyano-2-hydroxy-N,N,N-trimethyl-, chloride, (+-)-;D,L-Carnitinnitrilchlorid;DL-Carnitinenitrile chloride;(2R)-3-cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride;NSC1;

标识符

InChIKey:
ZOYKKWXSDFNANU-UHFFFAOYSA-M
Inchi:
1S/C7H15N2O.ClH/c1-9(2,3)6-7(10)4-5-8;/h7,10H,4,6H2,1-3H3;1H/q+1;/p-1
SMILES:
[Cl-].OC(CC#N)C[N+](C)(C)C

(3-Cyano-2-hydroxypropyl)trimethylammonium chloride(5238-52-8)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 重原子数量 : 11
  • 复杂度 : 139
  • 拓扑分子极性表面积 : 44

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