2940953-46-6 ((Methyl cis-4-amino-1-methyl-cyclohexanecarboxylate;hydrochloride)

CAS号:
2940953-46-6
英文名称:
Methyl cis-4-amino-1-methyl-cyclohexanecarboxylate;hydrochloride
分子式:
C9H18ClNO2
分子量:
207.69772195816

Methyl cis-4-amino-1-methyl-cyclohexanecarboxylate;hydrochloride(2940953-46-6)名称与标识符

名称

英文别名:
1202411-39-9;G14995;Rel-methyl (1s,4s)-4-amino-1-methylcyclohexane-1-carboxylate hydrochloride;SY343930;Methyl 4-amino-1-methylcyclohexane-1-carboxylate hydrochloride;METHYL TRANS-4-AMINO-1-METHYL-CYCLOHEXANECARBOXYLATE HYDROCHLORIDE;SCHEMBL1542907;SCHEMBL1543212;SCHEMBL1542905;1202411-38-8;2940953-46-6;methyl 4-amino-1-methyl-cyclohexanecarboxylate;hydrochloride;F98094;methyl cis-4-amino-1-methyl-cyclohexanecarboxylate;hydrochloride;methyl trans-4-amino-1-methyl-cyclohexanecarboxylate;hydrochloride;Methyl cis-4-Amino-1-methylcyclohexanecarboxylate Hydrochloride;MFCD28972807;Methyl 4-Amino-1-methyl-cyclohexanecarboxylate HCl;PS-16659;METHYL 4-AMINO-1-METHYL-CYCLOHEXANECARBOXYLATE HYDROCHLORIDE;MFCD34622172;F89153;Methyl cis-4-amino-1-methyl-cyclohexanecarboxylate hydrochloride;

标识符

InChIKey:
FCTFNYQBCMDTBK-UHFFFAOYSA-N
Inchi:
1S/C9H17NO2.ClH/c1-9(8(11)12-2)5-3-7(10)4-6-9;/h7H,3-6,10H2,1-2H3;1H
SMILES:
Cl.O(C)C(C1(C)CCC(CC1)N)=O

Methyl cis-4-amino-1-methyl-cyclohexanecarboxylate;hydrochloride(2940953-46-6)物化性质

计算特性

  • 精确分子量 : 207.1026065Da
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 207.1026065Da
  • 重原子数量 : 13
  • 复杂度 : 171
  • 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
  • 拓扑分子极性表面积 : 52.3Ų