[6-(aminomethyl)pyridin-3-yl]methanol

• ChemBase ID: 799180
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: C(O)c1cnc(cc1)CN
• Canonical SMILES: OCc1ccc(nc1)CN
• InChI: InChI=1S/C7H10N2O/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4,10H,3,5,8H2
• InChIKey: GNSCYCNQOANMTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(aminomethyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(aminomethyl)pyridin-3-yl]methanol
• Synonyms: (6-(aminomethyl)pyridin-3-yl)methanol

Database IDs

• CAS Number: 496945-97-2

CALCULATED PROPERTIES

• Acid pKa: 14.67519
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5267172
• LogD (pH = 7.4): -1.9441779
• Log P: -0.80453604
• Molar Refractivity: 38.6682 cm^3
• Polarizability: 15.246647 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%