3-(3,4-Diethyl-5-Oxo-4,5-Dihydro-1H-1,2,4-Triazol-1-Yl)Propanoic Acid
[CAS# 404595-17-1]

Identification

• Name: 3-(3,4-Diethyl-5-Oxo-4,5-Dihydro-1H-1,2,4-Triazol-1-Yl)Propanoic Acid
• Synonyms: 1H-1,2,4-TRIAZOLE-1-PROPANOICACID, 3,4-DIETHYL-4,5-DIHYDRO-5-OXO-; 3-(3,4-diethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid
• Molecular Formula: C₉H₁₅N₃O₃
• Molecular Weight: 213.23
• CAS Registry Number: 404595-17-1
• SMILES: CCc1nn(c(=O)n1CC)CCC(=O)O
• InChI: 1S/C9H15N3O3/c1-3-7-10-12(6-5-8(13)14)9(15)11(7)4-2/h3-6H2,1-2H3,(H,13,14)
• InChIKey: ILUMLMCEUABZET-UHFFFAOYSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 337.526°C at 760 mmHg (Cal.)
• Flash point: 157.93°C (Cal.)
• Refractive index: 1.575 (Cal.)