2-(benzyloxy)benzene-1-carboximidamide hydrochloride

• ChemBase ID: 264653
• Molecular Formular: C14H15ClN2O
• Molecular Mass: 262.7347
• Monoisotopic Mass: 262.08729079
• SMILES: c1(C(=N)N)c(OCc2ccccc2)cccc1.Cl
• Canonical SMILES: NC(=N)c1ccccc1OCc1ccccc1.Cl
• InChI: InChI=1S/C14H14N2O.ClH/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11;/h1-9H,10H2,(H3,15,16);1H
• InChIKey: YAGAHDBOSLNCCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)benzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2-(benzyloxy)benzenecarboximidamide hydrochloride
• Synonyms: 2-(benzyloxy)benzene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD13368256
• PubChem SID: 164320563
• PubChem CID: 47002254

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.046972264
• LogD (pH = 7.4): 0.1755665
• Log P: 2.4605162
• Molar Refractivity: 78.8063 cm^3
• Polarizability: 26.144802 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 2.476

Product Information

• Purity: 95%