[6-(aminomethyl)pyridin-2-yl]methanol

• ChemBase ID: 90302
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(cccc1CO)CN
• Canonical SMILES: NCc1cccc(n1)CO
• InChI: InChI=1S/C7H10N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,4-5,8H2
• InChIKey: YDFGMPWIEVDROI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(aminomethyl)pyridin-2-yl]methanol
• IUPAC Traditional name: [6-(aminomethyl)pyridin-2-yl]methanol
• Synonyms: [6-(Aminomethyl)pyridin-2-yl]methanol; 2-(Aminomethyl)-6-(hydroxymethyl)pyridine; 6-(AMINOMETHYL)-2-PYRIDINEMETHANOL

Database IDs

• CAS Number: 50501-31-0
• PubChem SID: 162077123
• PubChem CID: 21076956

CALCULATED PROPERTIES

• Acid pKa: 14.203204
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.444425
• LogD (pH = 7.4): -1.8610811
• Log P: -0.7230642
• Molar Refractivity: 38.146 cm^3
• Polarizability: 15.247761 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%