(5S,7R)-3-acetamidoadamantane-1-carboxylic acid structure

(5S,7R)-3-acetamidoadamantane-1-carboxylic acid

(5S,7R)-3-acetamidoadamantane-1-carboxylic acid

Also Known As: 3-Acetylamino-adamantane-1-carboxylic acid|ZERO/006077|3-(acetylamino)adamantane-1-carboxylic acid|(5S,7R)-3-acetamidoadamantane-1-carboxylic acid|(5R,7S)-3-ACETAMIDOADAMANTANE-1-CARBOXYLIC ACID

CAS: 6240-00-2
Molecular Formula C13H19NO3
Molecular Weight 237.13649 g/mol
LogP 0.9
Topological Polar Surface Area 66.4 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 237.13649
Monoisotopic Mass 237.13649
Heavy Atoms 17
Complexity 376.0

Chemical Identifiers

CAS Number 6240-00-2
SMILES CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)O
InChIKey XBMPXAYRLNNWET-ASZHBFLOSA-N

Product Overview

(5S,7R)-3-acetamidoadamantane-1-carboxylic acid (CAS 6240-00-2), with molecular formula C13H19NO3 and molecular weight 237.13649 g/mol. IUPAC: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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