CAS 1127-99-7 ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochloride (HCID 2724641)

基本情報

CAS: 1127-99-7
標準SMILES: CCOC(=O)[C@@H]1CCCC[C@@H]1N.Cl
InChIKey: XMQSOBPCWYVZSW-WLYNEOFISA-N
分子式: C9H18ClNO2
平均分子量: 207.7 g/mol

名称と識別子

優先名称: ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochloride
IUPAC: cis-ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
英語名: Cyclohexanecarboxylic acid, 2-amino-, ethyl ester, hydrochloride, (1R,2S)-
分子式: C9H18ClNO2
分子量: 207.69772

名称と別名

180979-17-3ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochlorideRefChem:592885877-872-11127-99-7cis-2-Amino-cyclohexanecarboxylic acid ethyl ester hydrochlorideETHYL CIS-2-AMINO-1-CYCLOHEXANECARBOXYLATE HYDROCHLORIDEcis-Ethyl 2-aminocyclohexanecarboxylate hydrochloride(1R,2S)-ETHYL 2-AMINOCYCLOHEXANECARBOXYLATE HYDROCHLORIDEMFCD00144280MFCD04037993ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride

名称をさらに表示

Cyclohexanecarboxylic acid, 2-amino-, ethyl ester, hydrochloride, (1R,2S)-ethyl (1R,2S)-2-aminocyclohexanecarboxylate;hydrochlorideethyl cis-2-aminocyclohexanecarboxylate hydrochlorideethyl (1R,2S)-2-aminocyclohexanecarboxylate hydrochloride(1R,2S)-ETHYL2-AMINOCYCLOHEXANECARBOXYLATEHYDROCHLORIDEethyl (1r,2s)-2-aminocyclohexanecarboxylateXMQSOBPCWYVZSW-WLYNEOFISA-NCyclohexanecarboxylic acid, 2-amino-, ethyl ester, hydrochloride, cis-

データベース識別子

CAS: 1127-99-7、180979-17-3
PubChem CID: 2724641
EC Number: 877-872-1

物性

構造計算による物性

極性表面積: 52.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 159

物理化学的性質

融点: 131 · 131-133 °C
貯蔵温度: Inert atmosphere,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.