4-phenylbenzene-1-carboximidamide hydrochloride

• ChemBase ID: 271126
• Molecular Formular: C13H13ClN2
• Molecular Mass: 232.70872
• Monoisotopic Mass: 232.07672611
• SMILES: C(=N)(c1ccc(cc1)c1ccccc1)N.Cl
• Canonical SMILES: NC(=N)c1ccc(cc1)c1ccccc1.Cl
• InChI: InChI=1S/C13H12N2.ClH/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H3,14,15);1H
• InChIKey: WIYQWPDKLHFVLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylbenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-phenylbenzenecarboximidamide hydrochloride
• Synonyms: 4-phenylbenzene-1-carboximidamide hydrochloride; BIPHENYL-4-CARBOXAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 111082-23-6
• MDL Number: MFCD04114455
• PubChem SID: 164327036
• PubChem CID: 14436799

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.12560208
• LogD (pH = 7.4): 0.13500573
• Log P: 2.5409396
• Molar Refractivity: 72.8667 cm^3
• Polarizability: 25.097692 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 242 - 244°C
• Hydrophobicity(logP): 2.533

Product Information

• Purity: 95%; 98%