N-(3-methylphenyl)benzenecarboximidamide

• ChemBase ID: 284636
• Molecular Formular: C14H14N2
• Molecular Mass: 210.27436
• Monoisotopic Mass: 210.11569846
• SMILES: C(=N)(Nc1cc(ccc1)C)c1ccccc1
• Canonical SMILES: Cc1cccc(c1)NC(=N)c1ccccc1
• InChI: InChI=1S/C14H14N2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h2-10H,1H3,(H2,15,16)
• InChIKey: QUJIYGVELYPITD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylphenyl)benzenecarboximidamide
• IUPAC Traditional name: N-(3-methylphenyl)benzenecarboximidamide
• Synonyms: N-(3-methylphenyl)benzenecarboximidamide

Database IDs

• MDL Number: MFCD18281158
• PubChem SID: 180670167
• PubChem CID: 12450666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2560087
• LogD (pH = 7.4): 2.3849945
• Log P: 3.5912135
• Molar Refractivity: 79.1047 cm^3
• Polarizability: 25.430279 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.489

Product Information

• Purity: 95%