(4-benzoylphenyl)methanamine hydrochloride

• ChemBase ID: 15012
• Molecular Formular: C14H14ClNO
• Molecular Mass: 247.72006
• Monoisotopic Mass: 247.07639175
• SMILES: NCc1ccc(cc1)C(=O)c1ccccc1.Cl
• Canonical SMILES: NCc1ccc(cc1)C(=O)c1ccccc1.Cl
• InChI: InChI=1S/C14H13NO.ClH/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12;/h1-9H,10,15H2;1H
• InChIKey: XCBRWBLKNAXUAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-benzoylphenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-benzoylphenyl)methanamine hydrochloride
• Synonyms: 4-Benzoyl benzylamine hydrochloride; 4-Benzoylbenzylamine hydrochloride

Database IDs

• CAS Number: 24095-40-7
• MDL Number: MFCD06245504
• PubChem SID: 160978319
• PubChem CID: 2760962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.38569155
• LogD (pH = 7.4): 0.7990565
• Log P: 2.5583673
• Molar Refractivity: 65.1069 cm^3
• Polarizability: 25.389269 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207-208°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Air Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 98%