2-(benzyloxy)pyridin-3-amine

• ChemBase ID: 259754
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(ncccc1N)OCc1ccccc1
• Canonical SMILES: Nc1cccnc1OCc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9,13H2
• InChIKey: RAXDMIDMGLJYQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)pyridin-3-amine
• IUPAC Traditional name: 2-(benzyloxy)pyridin-3-amine
• Synonyms: 2-(benzyloxy)pyridin-3-amine

Database IDs

• CAS Number: 23845-96-7
• MDL Number: MFCD04112488
• PubChem SID: 164315664
• PubChem CID: 16037734

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0853493
• LogD (pH = 7.4): 2.0878744
• Log P: 2.0879068
• Molar Refractivity: 59.9908 cm^3
• Polarizability: 22.687588 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 2.651

Product Information

• Purity: 95%