1202-24-0 ((1R,4R)-methyl 4-carbamoylcyclohexanecarboxylate,methyl trans-4-carbamoylcyclohexanecarboxylate)

CAS号:
1202-24-0
中文名称:
(1R,4R)-methyl 4-carbamoylcyclohexanecarboxylate
英文名称:
methyl trans-4-carbamoylcyclohexanecarboxylate
分子式:
C9H15NO3
分子量:
185.220302820206

(1R,4R)-methyl 4-carbamoylcyclohexanecarboxylate(1202-24-0)名称与标识符

名称

中文别名:
(1R,4R)-methyl 4-carbamoylcyclohexanecarboxylate;
英文别名:
(1R,4R)-methyl 4-carbamoylcyclohexanecarboxylate;methyl trans-4-carbamoylcyclohexanecarboxylate;KADKWAIHQUVCCO-LJGSYFOKSA-N;MFCD30174124;CS-0309482;1202-24-0;KADKWAIHQUVCCO-UHFFFAOYSA-N;MFCD20542936;SCHEMBL1101814;SCHEMBL595973;PS-15837;F2163-0181;SY238150;methyl 4-carbamoylcyclohexane-1-carboxylate;BS-43581;methyl (1r,4r)-4-carbamoylcyclohexane-1-carboxylate;methyl 4-carbamoylcyclohexanecarboxylate;SB46021;Methylcis-4-carbamoylcyclohexanecarboxylate;DTXSID801185358;trans-4-carbamoyl-cyclohexanecarboxylic acid methyl ester;BS-42818;CS-0312443;AKOS040815643;A1-20638;SY060319;SY238151;DB-091816;D96547;P19255;MFCD28133441;PB42545;AKOS027253905;Cyclohexanecarboxylic acid, 4-carbamoyl-, methyl ester, cis-;1202-23-9;CS-0183719;32529-81-0;methyl cis-4-carbamoylcyclohexanecarboxylate;trans-Methyl 4-carbamoylcyclohexanecarboxylate;SCHEMBL22280724;4-carbamoyl-cyclohexanecarboxylic acid methyl ester;(1s,4s)-Methyl 4-carbamoylcyclohexanecarboxylate;PB39856;

标识符

MDL:
MFCD28133441
InChIKey:
KADKWAIHQUVCCO-UHFFFAOYSA-N
Inchi:
1S/C9H15NO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H2,10,11)
SMILES:
O(C)C(C1CCC(C(N)=O)CC1)=O

(1R,4R)-methyl 4-carbamoylcyclohexanecarboxylate(1202-24-0)物化性质

实验特性

  • 沸点 : 339.3±31.0 °C at 760 mmHg
  • 蒸气压 : 0.0±0.7 mmHg at 25°C
  • 闪点 : 173.7±21.2 °C
  • 密度 : 1.1±0.1 g/cm3

计算特性

  • 精确分子量 : 185.10519334g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 185.10519334g/mol
  • 重原子数量 : 13
  • 复杂度 : 207
  • 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) : 0.2
  • 拓扑分子极性表面积 : 69.4Ų

(1R,4R)-methyl 4-carbamoylcyclohexanecarboxylate(1202-24-0)国际标准相关数据

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(1R,4R)-methyl 4-carbamoylcyclohexanecarboxylate(1202-24-0)参考资料

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