2-methoxy-4-methylpyridin-3-amine

• ChemBase ID: 69170
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(c(c(ccn1)C)N)OC
• Canonical SMILES: COc1nccc(c1N)C
• InChI: InChI=1S/C7H10N2O/c1-5-3-4-9-7(10-2)6(5)8/h3-4H,8H2,1-2H3
• InChIKey: IEJSXJLVJOGKMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-methylpyridin-3-amine
• IUPAC Traditional name: 2-methoxy-4-methylpyridin-3-amine
• Synonyms: 3-Amino-2-methoxy-4-picoline; 2-Methoxy-3-aMino-4-picoline; 2-Methoxy-4-methylpyridin-3-amine

Database IDs

• CAS Number: 76005-99-7
• MDL Number: MFCD08277287
• PubChem SID: 162034899
• PubChem CID: 10329361

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%