4-(benzyloxy)benzene-1-carboximidamide

• ChemBase ID: 808910
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: c1(ccc(cc1)OCc1ccccc1)C(=N)N
• Canonical SMILES: NC(=N)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C14H14N2O/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,15,16)
• InChIKey: GTNUPEIKYOGSTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)benzene-1-carboximidamide
• IUPAC Traditional name: 4-(benzyloxy)benzenecarboximidamide
• Synonyms: 4-BENZYLOXY-BENZAMIDINE

Database IDs

• CAS Number: 31066-05-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.045111842
• LogD (pH = 7.4): 0.04936503
• Log P: 2.4605162
• Molar Refractivity: 78.8063 cm^3
• Polarizability: 26.142149 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%