330838-52-3 (氨甲环酸杂质C,4-(Aminomethyl)-1-cyclohexene-1-carboxylic Acid(Tranexamic acid Impurity))

CAS号:
330838-52-3
中文名称:
氨甲环酸杂质C
英文名称:
4-(Aminomethyl)-1-cyclohexene-1-carboxylic Acid(Tranexamic acid Impurity)
分子式:
C8H13NO2
分子量:
155.194322347641

氨甲环酸杂质C(330838-52-3)名称与标识符

名称

中文别名:
氨甲环酸杂质C;(RS)-4-(氨基甲基)环己烯-1-羧酸;4-氨甲基-1-环己烯-1-羧酸(氨甲环酸杂质);(9ci)-4-(氨基甲基)-1-环己烯-1-羧酸;氨甲环酸相关物质C;氨甲环酸相关物质C USP标准品;传明酸杂质C;
英文别名:
Tranexamic Acid Related Compound C;1-Cyclohexene-1-carboxylicacid,4-(aminomethyl)-(9CI);4-(Aminomethyl)-1-cyclohexene-1-carboxylic Acid (Tranexamic acid Impurity);4-(Aminomethyl)-1-cyclohexene-1-carboxylic acid;4-(Aminomethyl)-1-cyclohexene-1-carboxylic Acid (Tranexamic acid Impurity);(RS)-4-(aMinoMethyl)cyclohex-1-enecarboxylic acid;F20727;SCHEMBL21174854;4-(aminomethyl)cyclohex-1-ene-1-carboxylic acid;4-(Aminomethyl)cyclohex-1-enecarboxylic acid;4-(aminomethyl)cyclohexene-1-carboxylic Acid;Tranexamic acid impurity C CRS;EN300-207462;Tranexamic acid impurity C [EP];FT-0661904;TRANEXAMIC ACID IMPURITY C [EP IMPURITY];330838-52-3;4-(Aminomethyl)cyclohex-1-enecarboxylicacid;CS-0271213;4-(Aminomethyl)-1-cyclohexene-1-carboxylic Acid(Tranexamic acid Impurity);Q27262968;AKOS006305238;ZB0718;1,2-Didehydro tranexamic acid;UNII-5WP87419XG;5WP87419XG;1-Cyclohexene-1-carboxylic acid, 4-(aminomethyl)-;4-(aminomethyl)-1-Cyclohexene-1-carboxylic acid, USP Tranexamic Acid Related Compound C, (RS)-4-(aminomethyl)cyclohex-1-enecarboxylic acid;STL450970;

标识符

MDL:
MFCD10001448
InChIKey:
MZPZFPYJTSAQPX-UHFFFAOYSA-N
Inchi:
1S/C8H13NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6H,1-2,4-5,9H2,(H,10,11)
SMILES:
OC(C1=CCC(CN)CC1)=O

氨甲环酸杂质C(330838-52-3)物化性质

实验特性

  • LogP : 1.45650
  • PSA : 63.32000

计算特性

  • 精确分子量 : 155.09500
  • 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 : 155.094628657g/mol
  • 重原子数量 : 11
  • 复杂度 : 187
  • 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 : 1
  • 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) : -2
  • 拓扑分子极性表面积 : 63.3Ų

氨甲环酸杂质C(330838-52-3)参考资料

Reaxys RN:
PubChem CID: