3-ethoxypyridazine

• ChemBase ID: 288785
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: CCOc1nnccc1
• Canonical SMILES: CCOc1cccnn1
• InChI: InChI=1S/C6H8N2O/c1-2-9-6-4-3-5-7-8-6/h3-5H,2H2,1H3
• InChIKey: ZVVWBPYZGKHHSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypyridazine
• IUPAC Traditional name: pyridazine, 3-ethoxy-
• Synonyms: 2-Ethoxypyrazine; 3-Ethoxypyridazine

Database IDs

• CAS Number: 38028-67-0; 62567-44-6
• MDL Number: MFCD00014609
• PubChem SID: 180674316
• PubChem CID: 520878

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5693646
• LogD (pH = 7.4): 0.5693972
• Log P: 0.5693976
• Molar Refractivity: 35.2897 cm^3
• Polarizability: 12.914911 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%