CAS 23199-14-6 (1R,4R)-Methyl 4-(aminomethyl)cyclohexanecarboxylate (HCID 12721444)

基本情報

CAS: 23199-14-6
標準SMILES: COC(=O)C1CCC(CN)CC1
InChIKey: NSIXHHAVJIMVTD-UHFFFAOYSA-N
分子式: C9H17NO2
平均分子量: 171.24 g/mol
単同位体質量: 171.12592879

名称と識別子

優先名称: (1R,4R)-Methyl 4-(aminomethyl)cyclohexanecarboxylate
IUPAC: methyl 4-(aminomethyl)cyclohexane-1-carboxylate
現地名: 4-(アミノメチル)シクロヘキサンカルボン酸メチル
英語名: Methyl 4-(aminomethyl)cyclohexanecarboxylate
分子式: C9H17NO2
分子量: 171.24

名称と別名

50738-63-123199-14-6methyl 4-(aminomethyl)cyclohexanecarboxylate(1R,4R)-METHYL 4-(AMINOMETHYL)CYCLOHEXANECARBOXYLATEtrans-Methyl 4-(aminomethyl)cyclohexanecarboxylateMETHYL 4-(AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLATEmethyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate43087-37-2cis-Methyl 4-(aminomethyl)cyclohexanecarboxylateMethyl trans-4-(aminomethyl)cyclohexanecarboxylatecyclohexanecarboxylic acid, 4-(aminomethyl)-, methyl ester, hydrochlorideMFCD12965034

名称をさらに表示

4-(アミノメチル)シクロヘキサンカルボン酸メチルTRANS-4-METHYL-N-BOC-AMMONIA-1-CYCLOHEXANOL METHYL FORMATECyclohexanecarboxylic acid, 4-(aminomethyl)-, methyl ester4-(aminomethyl)-Cyclohexanecarboxylic acid methyl ester (8CI 9CI ACI)Cyclohexanecarboxylic acid, 4-(aminomethyl)-, methyl ester (8CI, 9CI, ACI)Cyclohexanecarboxylic acid, 4-(aminomethyl)-, methyl ester, hydrochloride (1:1)

Cyclohexanecarboxylicacid, 4-(aminomethyl)-, methyl estertranexamic acid methyl esterTranexamic Acid Impurity 544-aminomethyl-cyclohexanecarboxylic acid methyl esterSCHEMBL1233032SCHEMBL1670447SCHEMBL2375246SCHEMBL9293555

データベース識別子

CAS: 23199-14-6
PubChem CID: 12721444
Nikkaji: J1.723.739J、J3.151.640D

物性

構造計算による物性

XLogP: 0.6
極性表面積: 52.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 151

物理化学的性質

沸点: 240.7 · 240.7±13.0 °C(Predicted)
比重(密度): 1.014 · 1.014±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 10.27 · 10.27±0.29(Predicted)