diphenylmethanimine hydrochloride

• ChemBase ID: 289464
• Molecular Formular: C13H12ClN
• Molecular Mass: 217.69408
• Monoisotopic Mass: 217.06582707
• SMILES: N=C(c1ccccc1)c1ccccc1.Cl
• Canonical SMILES: N=C(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C13H11N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,14H;1H
• InChIKey: QXHZCMMSAPYFKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylmethanimine hydrochloride
• IUPAC Traditional name: benzenemethanimine, α-phenyl- hydrochloride
• Synonyms: Diphenylmethanimine hydrochloride

Database IDs

• CAS Number: 5319-67-5
• MDL Number: MFCD00161097
• PubChem SID: 180674995
• PubChem CID: 12234619

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.06251387
• LogD (pH = 7.4): 0.8871091
• Log P: 3.4452603
• Molar Refractivity: 69.1055 cm^3
• Polarizability: 22.551716 Å^3
• Polar Surface Area: 23.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%