2,6-diethyl 4-aminopyridine-2,6-dicarboxylate

• ChemBase ID: 813918
• Molecular Formular: C11H14N2O4
• Molecular Mass: 238.23986
• Monoisotopic Mass: 238.09535694
• SMILES: n1c(cc(cc1C(=O)OCC)N)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(N)cc(n1)C(=O)OCC
• InChI: InChI=1S/C11H14N2O4/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3,(H2,12,13)
• InChIKey: AHJBORNYMQMCBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diethyl 4-aminopyridine-2,6-dicarboxylate
• IUPAC Traditional name: 2,6-diethyl 4-aminopyridine-2,6-dicarboxylate
• Synonyms: diethyl 4-aminopyridine-2,6-dicarboxylate

Database IDs

• CAS Number: 1196155-10-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.94626796
• LogD (pH = 7.4): 1.0179213
• Log P: 1.0189179
• Molar Refractivity: 61.4053 cm^3
• Polarizability: 23.185318 Å^3
• Polar Surface Area: 91.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%