[3-(benzyloxy)pyridin-2-yl]methanamine

• ChemBase ID: 815045
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: C(N)c1ncccc1OCc1ccccc1
• Canonical SMILES: NCc1ncccc1OCc1ccccc1
• InChI: InChI=1S/C13H14N2O/c14-9-12-13(7-4-8-15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10,14H2
• InChIKey: QBVBHQWWNOQBSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(benzyloxy)pyridin-2-yl]methanamine
• IUPAC Traditional name: [3-(benzyloxy)pyridin-2-yl]methanamine
• Synonyms: (3-(benzyloxy)pyridin-2-yl)methanamine

Database IDs

• CAS Number: 88423-14-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8812163
• LogD (pH = 7.4): 0.8118928
• Log P: 1.5296155
• Molar Refractivity: 62.9281 cm^3
• Polarizability: 24.920134 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%