3-methoxypyridin-4-amine

• ChemBase ID: 89155
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1cc(c(cc1)N)OC
• Canonical SMILES: COc1cnccc1N
• InChI: InChI=1S/C6H8N2O/c1-9-6-4-8-3-2-5(6)7/h2-4H,1H3,(H2,7,8)
• InChIKey: GPMHHELOMRCBRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypyridin-4-amine
• IUPAC Traditional name: 3-methoxypyridin-4-amine
• Synonyms: 3-Methoxypyridin-4-amine; 4-Amino-3-methoxypyridine

Database IDs

• CAS Number: 52334-90-4
• MDL Number: MFCD09991938
• PubChem SID: 162076039
• PubChem CID: 3016738

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2135313
• LogD (pH = 7.4): -1.044644
• Log P: -0.23102383
• Molar Refractivity: 35.0647 cm^3
• Polarizability: 13.088599 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 98%