2-(phenylamino)cyclohexan-1-one

• ChemBase ID: 310573
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: N(C1C(=O)CCCC1)c1ccccc1
• Canonical SMILES: O=C1CCCCC1Nc1ccccc1
• InChI: InChI=1S/C12H15NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
• InChIKey: AWMZFBYYIATTOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(phenylamino)cyclohexan-1-one
• IUPAC Traditional name: 2-(phenylamino)cyclohexan-1-one
• Synonyms: 2-anilinocyclohexanone

Database IDs

• CAS Number: 4504-43-2
• MDL Number: MFCD00465146

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5802927
• LogD (pH = 7.4): 2.5817113
• Log P: 2.5817294
• Molar Refractivity: 57.7301 cm^3
• Polarizability: 21.866861 Å^3
• Polar Surface Area: 29.1 Å^2