N-phenylbenzenecarboximidamide

• ChemBase ID: 82775
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: N(c1ccccc1)C(=N)c1ccccc1
• Canonical SMILES: N=C(c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C13H12N2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15)
• InChIKey: MPYOKHFSBKUKPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylbenzenecarboximidamide
• IUPAC Traditional name: N-phenylbenzenecarboximidamide
• Synonyms: N-phenylbenzimidamide; N-Phenylbenzenecarboximidamide; N-Phenylbenzamidine; N-Phenylbenzamidine; N-phenylbenzenecarboximidamide; N-苯基苄脒

Database IDs

• CAS Number: 1527-91-9
• EC Number: 000-000-0
• MDL Number: MFCD00019730
• Beilstein Number: 608471
• PubChem SID: 162069894
• PubChem CID: 200127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7515368
• LogD (pH = 7.4): 1.9162337
• Log P: 3.0777922
• Molar Refractivity: 74.0635 cm^3
• Polarizability: 23.664469 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C; 117-120°C; 118-120°C
• Hydrophobicity(logP): 2.99

Safety Information

• Storage Warning: Harmful/Hygroscopic; Hygroscopic
• TSCA Listed: 否

Product Information

• Purity: 95%; 97%