Basic information
- CAS
1033756-98-7- Standard SMILES
COC(=O)[C@@H]1CCCCCC[C@@H]1N.Cl- InChIKey
GEGCJDINFDQDRC-RJUBDTSPSA-N- Molecular formula
- C10H20ClNO2
- Average molar mass
- 221.72 g/mol
- Monoisotopic mass
- 221.1182566
Names & identifiers
- Preferred name
- rac-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate hydrochloride
- IUPAC
- cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride
Names & synonyms
1033756-98-7rac-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate hydrochlorideRefChem:874525993-098-8cis-2-Amino-cyclooctanecarboxylic acid methyl ester hydrochloriderac-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate hydrochloride, cisSCHEMBL4491298GEGCJDINFDQDRC-RJUBDTSPSA-NEN300-1091533methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride
Database identifiers
- CAS
1033756-98-7- PubChem CID
- 11615491
- EC Number
- 993-098-8
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 170
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
1 records
Compound notes
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