(4-bromophenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 264530
• Molecular Formular: C13H13BrClN
• Molecular Mass: 298.60602
• Monoisotopic Mass: 296.9919891
• SMILES: C(c1ccc(cc1)Br)(c1ccccc1)N.Cl
• Canonical SMILES: Brc1ccc(cc1)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C13H12BrN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
• InChIKey: SZWHELGYDLPWLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-bromophenyl)(phenyl)methanamine hydrochloride
• Synonyms: (4-bromophenyl)(phenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD00235189
• PubChem SID: 164320440
• PubChem CID: 21528791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.743925
• LogD (pH = 7.4): 2.0482092
• Log P: 3.652007
• Molar Refractivity: 66.437 cm^3
• Polarizability: 25.942253 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 288 - 290°C
• Hydrophobicity(logP): 3.305

Product Information

• Purity: 95%