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

• ChemBase ID: 92400
• Molecular Formular: C7H13Cl2N3O
• Molecular Mass: 226.10362
• Monoisotopic Mass: 225.04356741
• SMILES: n1c(c(ccc1OC)N)NC.Cl.Cl
• Canonical SMILES: CNc1nc(OC)ccc1N.Cl.Cl
• InChI: InChI=1S/C7H11N3O.2ClH/c1-9-7-5(8)3-4-6(10-7)11-2;;/h3-4H,8H2,1-2H3,(H,9,10);2*1H
• InChIKey: GYLCRBBRGGGHBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-N-methylpyridine-2,3-diamine dihydrochloride; 6-methoxy-N2-methylpyridine-2,3-diamine dihydrochloride
• IUPAC Traditional name: 6-methoxy-2-N-methylpyridine-2,3-diamine dihydrochloride; 6-methoxy-N2-methylpyridine-2,3-diamine dihydrochloride
• Synonyms: 3-Amino-6-methoxy-2-(methylamino)pyridine dihydrochloride; 6-Methoxy-N2-Methylpyridine-2,3-diaMine dihydrochloride

Database IDs

• CAS Number: 83732-72-3
• MDL Number: MFCD08543464
• PubChem SID: 162079098
• PubChem CID: 5743759

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: 97%