4-(benzyloxy)pyridin-2-amine

• ChemBase ID: 70039
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(cc(ccn1)OCc1ccccc1)N
• Canonical SMILES: Nc1nccc(c1)OCc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,14)
• InChIKey: RAFCWIXBEWVPGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)pyridin-2-amine
• IUPAC Traditional name: 4-(benzyloxy)pyridin-2-amine
• Synonyms: 4-(Benzyloxy)pyridin-2-amine

Database IDs

• CAS Number: 85333-26-2
• MDL Number: MFCD12405835
• PubChem SID: 162035764
• PubChem CID: 520084

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6267241
• LogD (pH = 7.4): 1.3521832
• Log P: 2.0879068
• Molar Refractivity: 59.9908 cm^3
• Polarizability: 22.680044 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+%