基本信息
- 标准SMILES
COC(=O)C1CCC(CN)CC1- InChIKey
NSIXHHAVJIMVTD-UHFFFAOYSA-N- 分子式
- C9H17NO2
- 平均分子量
- 171.24 g/mol
- 单同位素质量
- 171.12592879
名称与标识
- 首选名称
- (1R,4R)-Methyl 4-(aminomethyl)cyclohexanecarboxylate
- IUPAC
- methyl 4-(aminomethyl)cyclohexane-1-carboxylate
名称与别名
50738-63-123199-14-6(1R,4R)-METHYL 4-(AMINOMETHYL)CYCLOHEXANECARBOXYLATEmethyl 4-(aminomethyl)cyclohexanecarboxylatetrans-Methyl 4-(aminomethyl)cyclohexanecarboxylateMETHYL 4-(AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLATEmethyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylateMethyl trans-4-(aminomethyl)cyclohexanecarboxylate43087-37-2cis-Methyl 4-(aminomethyl)cyclohexanecarboxylatecyclohexanecarboxylic acid, 4-(aminomethyl)-, methyl ester, hydrochlorideMFCD12965034
展开更多名称
Cyclohexanecarboxylicacid, 4-(aminomethyl)-, methyl estertranexamic acid methyl esterTranexamic Acid Impurity 544-aminomethyl-cyclohexanecarboxylic acid methyl esterSCHEMBL1233032SCHEMBL1670447SCHEMBL2375246SCHEMBL9293555
数据库标识
- PubChem CID
- 12721444
- Nikkaji
- J1.723.739J、J3.151.640D
性质
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 52.3 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 151
相关反应
14 条
关联笔记
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