[3-(benzyloxy)pyridin-4-yl]methanamine

• ChemBase ID: 815044
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: C(N)c1c(cncc1)OCc1ccccc1
• Canonical SMILES: NCc1ccncc1OCc1ccccc1
• InChI: InChI=1S/C13H14N2O/c14-8-12-6-7-15-9-13(12)16-10-11-4-2-1-3-5-11/h1-7,9H,8,10,14H2
• InChIKey: RSPRNXJIYWXVOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(benzyloxy)pyridin-4-yl]methanamine
• IUPAC Traditional name: [3-(benzyloxy)pyridin-4-yl]methanamine
• Synonyms: (3-(benzyloxy)pyridin-4-yl)methanamine

Database IDs

• CAS Number: 1060804-47-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3749789
• LogD (pH = 7.4): 0.10054577
• Log P: 1.4481437
• Molar Refractivity: 63.4503 cm^3
• Polarizability: 24.919046 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%