6-methoxy-2-N-methylpyridine-2,3-diamine

• ChemBase ID: 291143
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: Nc1ccc(OC)nc1NC
• Canonical SMILES: CNc1nc(OC)ccc1N
• InChI: InChI=1S/C7H11N3O/c1-9-7-5(8)3-4-6(10-7)11-2/h3-4H,8H2,1-2H3,(H,9,10)
• InChIKey: ATCBPVDYYNJHSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-N-methylpyridine-2,3-diamine
• IUPAC Traditional name: 6-methoxy-2-N-methylpyridine-2,3-diamine
• Synonyms: 6-Methoxy-N2-methylpyridine-2,3-diamine

Database IDs

• CAS Number: 90817-34-8
• MDL Number: MFCD08275116
• PubChem SID: 180676674
• PubChem CID: 5743760

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3104129
• LogD (pH = 7.4): 0.42892295
• Log P: 0.43066937
• Molar Refractivity: 45.8855 cm^3
• Polarizability: 16.08191 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%