6-methoxy-4-methylpyridin-3-amine

• ChemBase ID: 22418
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(cc(c(cn1)N)C)OC
• Canonical SMILES: COc1ncc(c(c1)C)N
• InChI: InChI=1S/C7H10N2O/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,8H2,1-2H3
• InChIKey: PADDNCJJHROILV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-4-methylpyridin-3-amine
• IUPAC Traditional name: 6-methoxy-4-methylpyridin-3-amine
• Synonyms: 5-Amino-2-methoxy-4-methylpyridine; 5-AMINO-2-METHOXY-4-PICOLINE; 6-Methoxy-4-methylpyridin-3-amine

Database IDs

• CAS Number: 6635-91-2
• MDL Number: MFCD08277274
• PubChem SID: 160985725
• PubChem CID: 243170

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8549101
• LogD (pH = 7.4): 0.8765713
• Log P: 0.8768551
• Molar Refractivity: 40.4194 cm^3
• Polarizability: 14.855228 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: 98%