5-(benzyloxy)pyridin-3-amine

• ChemBase ID: 292317
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: Nc1cc(OCc2ccccc2)cnc1
• Canonical SMILES: Nc1cncc(c1)OCc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9,13H2
• InChIKey: RNHYKJJZOLICIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(benzyloxy)pyridin-3-amine
• IUPAC Traditional name: 5-(benzyloxy)pyridin-3-amine
• Synonyms: 5-(Benzyloxy)pyridin-3-amine; 3-AMINO-5-BENZYLOXY PYRIDINE

Database IDs

• CAS Number: 186593-25-9
• PubChem SID: 180677848
• PubChem CID: 22989735

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3062899
• LogD (pH = 7.4): 1.4903226
• Log P: 1.4934493
• Molar Refractivity: 59.6773 cm^3
• Polarizability: 22.68374 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%