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

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Basic information

CAS: 1127-99-7
Standard SMILES: CCOC(=O)[C@@H]1CCCC[C@@H]1N.Cl
InChIKey: XMQSOBPCWYVZSW-WLYNEOFISA-N
Molecular formula: C9H18ClNO2
Average molar mass: 207.7 g/mol

Names & identifiers

Preferred name: ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochloride
IUPAC: cis-ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
English name: Cyclohexanecarboxylic acid, 2-amino-, ethyl ester, hydrochloride, (1R,2S)-
Molecular formula: C9H18ClNO2
Molecular weight: 207.69772

Names & synonyms

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

Show more names

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-

Database identifiers

CAS: 1127-99-7、180979-17-3
PubChem CID

Properties

Computed structural properties

Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 131 · 131-133 °C
storage temp.: Inert atmosphere,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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.