4-ethoxypyridin-3-amine

• ChemBase ID: 288343
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: Nc1c(OCC)ccnc1
• Canonical SMILES: CCOc1ccncc1N
• InChI: InChI=1S/C7H10N2O/c1-2-10-7-3-4-9-5-6(7)8/h3-5H,2,8H2,1H3
• InChIKey: XHEMFRKTOJUJJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxypyridin-3-amine
• IUPAC Traditional name: 4-ethoxypyridin-3-amine
• Synonyms: 4-Ethoxypyridin-3-amine

Database IDs

• CAS Number: 1633-43-8
• PubChem SID: 180673874
• PubChem CID: 817252

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7011058
• LogD (pH = 7.4): 0.044455316
• Log P: 0.12578413
• Molar Refractivity: 39.8133 cm^3
• Polarizability: 14.928091 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%