2,6-dimethoxypyridin-3-amine

• ChemBase ID: 66952
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: c1(c(ccc(n1)OC)N)OC
• Canonical SMILES: COc1ccc(c(n1)OC)N
• InChI: InChI=1S/C7H10N2O2/c1-10-6-4-3-5(8)7(9-6)11-2/h3-4H,8H2,1-2H3
• InChIKey: PTBHRJOTANEONS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxypyridin-3-amine
• IUPAC Traditional name: 2,6-dimethoxypyridin-3-amine
• Synonyms: 3-Amino-2,6-dimethoxypyridine 95+%; 2,6-dimethoxypyridin-3-amine; 3-Amino-2,6-dimethoxypyridine

Database IDs

• CAS Number: 28020-37-3
• MDL Number: MFCD00832865
• PubChem SID: 162032688
• PubChem CID: 593005

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8001067
• LogD (pH = 7.4): 0.8002185
• Log P: 0.80021995
• Molar Refractivity: 42.1549 cm^3
• Polarizability: 15.638079 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41-43°C; 43 - 45°C
• Hydrophobicity(logP): 1.74

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%