6-methoxy-5-methylpyridin-3-amine hydrochloride

• ChemBase ID: 70601
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: c1c(cc(c(n1)OC)C)N.Cl
• Canonical SMILES: COc1ncc(cc1C)N.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-5-3-6(8)4-9-7(5)10-2;/h3-4H,8H2,1-2H3;1H
• InChIKey: QYRXTCKKJDXJBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-5-methylpyridin-3-amine hydrochloride
• IUPAC Traditional name: 6-methoxy-5-methylpyridin-3-amine hydrochloride
• Synonyms: 6-Methoxy-5-methylpyridin-3-amine hydrochloride

Database IDs

• CAS Number: 1159811-59-2
• MDL Number: MFCD05662388
• PubChem SID: 162036316
• PubChem CID: 45108203

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8644803
• LogD (pH = 7.4): 0.87669694
• Log P: 0.8768551
• Molar Refractivity: 40.4194 cm^3
• Polarizability: 14.857481 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%