4-(benzyloxy)pyridin-3-amine

• ChemBase ID: 271803
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(c(OCc2ccccc2)ccnc1)N
• Canonical SMILES: Nc1cnccc1OCc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-11-8-14-7-6-12(11)15-9-10-4-2-1-3-5-10/h1-8H,9,13H2
• InChIKey: WSMGCHYPHRQNEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)pyridin-3-amine
• IUPAC Traditional name: 4-(benzyloxy)pyridin-3-amine
• Synonyms: 4-(benzyloxy)pyridin-3-amine

Database IDs

• MDL Number: MFCD11184559
• PubChem SID: 164327713
• PubChem CID: 28890052

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.67940277
• LogD (pH = 7.4): 1.4190111
• Log P: 1.4934493
• Molar Refractivity: 59.6773 cm^3
• Polarizability: 22.681501 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 2.71

Product Information

• Purity: 95%