2-ethoxypyridin-4-amine

• ChemBase ID: 816000
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(cc(cc1)N)OCC
• Canonical SMILES: CCOc1cc(N)ccn1
• InChI: InChI=1S/C7H10N2O/c1-2-10-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3,(H2,8,9)
• InChIKey: HSPMUFVIWJXJHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxypyridin-4-amine
• IUPAC Traditional name: 2-ethoxypyridin-4-amine
• Synonyms: 4-AMINO-2-ETHOXYPYRIDINE

Database IDs

• CAS Number: 89943-12-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.37528104
• LogD (pH = 7.4): 0.6296482
• Log P: 0.72024167
• Molar Refractivity: 40.1268 cm^3
• Polarizability: 14.928546 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%