(6-methoxypyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 287936
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: Cl.COc1cccc(CN)n1
• Canonical SMILES: NCc1cccc(n1)OC.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-10-7-4-2-3-6(5-8)9-7;/h2-4H,5,8H2,1H3;1H
• InChIKey: NHKBPLDFAZGMEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxypyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (6-methoxypyridin-2-yl)methanamine hydrochloride
• Synonyms: (6-Methoxypyridin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 95851-89-1
• PubChem SID: 180673467
• PubChem CID: 13882974

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3311186
• LogD (pH = 7.4): -0.75566727
• Log P: 0.39959997
• Molar Refractivity: 38.629 cm^3
• Polarizability: 15.313373 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%