CAS
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Specification
The molecular formula is C13H17NO.
The molecular weight is 203.28 g/mol.
The IUPAC name is 4-(benzylamino)cyclohexan-1-one.
The InChI is InChI=1S/C13H17NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2.
The InChIKey is NMCDGVLRNAILQW-UHFFFAOYSA-N.
The Canonical SMILES is C1CC(=O)CCC1NCC2=CC=CC=C2.
The CAS number is 142009-99-2.
The XLogP3-AA value is 1.5.
4-Benzylaminocyclohexanone has 1 hydrogen bond donor count.
4-Benzylaminocyclohexanone has 2 hydrogen bond acceptor counts.