4,5-dimethoxypyridin-3-amine

• ChemBase ID: 32475
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: c1(cncc(c1OC)N)OC
• Canonical SMILES: COc1c(OC)cncc1N
• InChI: InChI=1S/C7H10N2O2/c1-10-6-4-9-3-5(8)7(6)11-2/h3-4H,8H2,1-2H3
• InChIKey: KOSAVBLGLHXMDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethoxypyridin-3-amine
• IUPAC Traditional name: 4,5-dimethoxypyridin-3-amine
• Synonyms: 4,5-Dimethoxypyridin-3-amine; 4,5-Dimethoxypyridin-3-amine

Database IDs

• CAS Number: 1087659-17-3
• MDL Number: MFCD11052856
• PubChem SID: 160995782
• PubChem CID: 45361751

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1115683
• LogD (pH = 7.4): -0.43217316
• Log P: -0.3886951
• Molar Refractivity: 41.5279 cm^3
• Polarizability: 15.632104 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H10N2O2

DETAILS

Sigma Aldrich - ADE000479

Other Notes
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