5-(benzyloxy)pyridin-2-amine

• ChemBase ID: 68246
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(ccc(cn1)OCc1ccccc1)N
• Canonical SMILES: Nc1ccc(cn1)OCc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-12-7-6-11(8-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,14)
• InChIKey: KMWUTRXLBBOIJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(benzyloxy)pyridin-2-amine
• IUPAC Traditional name: 5-(benzyloxy)pyridin-2-amine
• Synonyms: 5-(Benzyloxy)pyridin-2-amine

Database IDs

• CAS Number: 96166-00-6
• MDL Number: MFCD11135746
• PubChem SID: 162033978
• PubChem CID: 22315276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4270881
• LogD (pH = 7.4): 2.0662644
• Log P: 2.0879068
• Molar Refractivity: 59.9908 cm^3
• Polarizability: 22.682453 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%