2-methoxy-4-methylpyridin-3-amine hydrochloride

• ChemBase ID: 292983
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: Cl.COc1nccc(C)c1N
• Canonical SMILES: COc1nccc(c1N)C.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-5-3-4-9-7(10-2)6(5)8;/h3-4H,8H2,1-2H3;1H
• InChIKey: APNNRNNVMJEQAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-methylpyridin-3-amine hydrochloride
• IUPAC Traditional name: 2-methoxy-4-methylpyridin-3-amine hydrochloride
• Synonyms: 2-Methoxy-4-methylpyridin-3-amine hydrochloride

Database IDs

• CAS Number: 180087-79-0
• PubChem SID: 180678514
• PubChem CID: 70700936

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8557389
• LogD (pH = 7.4): 0.8765823
• Log P: 0.8768551
• Molar Refractivity: 40.4194 cm^3
• Polarizability: 14.85704 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%