(3-methoxypyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 293372
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: NCc1ncccc1OC.Cl
• Canonical SMILES: COc1cccnc1CN.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-10-7-3-2-4-9-6(7)5-8;/h2-4H,5,8H2,1H3;1H
• InChIKey: UVTVZSYFGGXRFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 180678903
• PubChem CID: 71748350

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6083517
• LogD (pH = 7.4): -0.91540605
• Log P: -0.19485755
• Molar Refractivity: 38.3155 cm^3
• Polarizability: 15.31068 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%