(2-methoxypyridin-3-yl)methanamine dihydrochloride

• ChemBase ID: 292335
• Molecular Formular: C7H12Cl2N2O
• Molecular Mass: 211.08898
• Monoisotopic Mass: 210.03266837
• SMILES: Cl.Cl.COc1ncccc1CN
• Canonical SMILES: COc1ncccc1CN.Cl.Cl
• InChI: InChI=1S/C7H10N2O.2ClH/c1-10-7-6(5-8)3-2-4-9-7;;/h2-4H,5,8H2,1H3;2*1H
• InChIKey: DWPUKTYKLMMLSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypyridin-3-yl)methanamine dihydrochloride
• IUPAC Traditional name: (2-methoxypyridin-3-yl)methanamine dihydrochloride
• Synonyms: (2-Methoxypyridin-3-yl)methanamine dihydrochloride

Database IDs

• CAS Number: 1158447-85-8
• PubChem SID: 180677866
• PubChem CID: 18424071

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.460355
• LogD (pH = 7.4): -0.93059635
• Log P: 0.31812808
• Molar Refractivity: 39.1512 cm^3
• Polarizability: 15.31271 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%