4-methoxypyridine-2,3-diamine

• ChemBase ID: 166821
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1(ccnc(c1N)N)OC
• Canonical SMILES: COc1ccnc(c1N)N
• InChI: InChI=1S/C6H9N3O/c1-10-4-2-3-9-6(8)5(4)7/h2-3H,7H2,1H3,(H2,8,9)
• InChIKey: UYMYMHQOWIHQKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypyridine-2,3-diamine
• IUPAC Traditional name: 4-methoxypyridine-2,3-diamine
• Synonyms: 4-Methoxy-pyridine-2,3-diamine Dihydrochloride Salt; 2,3-Diamino-4-methoxypyridine, Dihydrochloride Salt

Database IDs

• PubChem SID: 162260954
• PubChem CID: 10214395

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9411683
• LogD (pH = 7.4): -1.4089886
• Log P: -0.46549225
• Molar Refractivity: 40.0786 cm^3
• Polarizability: 14.244137 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: Light Brown Solid
• Melting Point: 183-185°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere