6-(benzyloxy)pyridin-3-amine

• ChemBase ID: 260466
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1c(OCc2ccccc2)ccc(c1)N
• Canonical SMILES: Nc1ccc(nc1)OCc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9,13H2
• InChIKey: CDCFXBSOKSIQPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(benzyloxy)pyridin-3-amine
• IUPAC Traditional name: 6-(benzyloxy)pyridin-3-amine
• Synonyms: 6-(benzyloxy)pyridin-3-amine

Database IDs

• CAS Number: 75926-65-7
• MDL Number: MFCD01692494
• PubChem SID: 164316376
• PubChem CID: 563286

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.085245
• LogD (pH = 7.4): 2.0878732
• Log P: 2.0879068
• Molar Refractivity: 59.9908 cm^3
• Polarizability: 22.685665 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42 - 44°C
• Hydrophobicity(logP): 2.471

Product Information

• Purity: 95%