ChemSpider 2D Image | 3-(3,4-Diethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid | C9H15N3O3

3-(3,4-Diethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid

  • Molecular FormulaC9H15N3O3
  • Average mass213.234 Da
  • Monoisotopic mass213.111343 Da
  • ChemSpider ID24209752

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-1,2,4-Triazole-1-propanoic acid, 3,4-diethyl-4,5-dihydro-5-oxo- [ACD/Index Name]
3-(3,4-Diethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid [ACD/IUPAC Name]
3-(3,4-Diethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(3,4-diéthyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoïque [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-propanoic acid, 3,4-diethyl-4,5-dihydro-5-oxo- (9CI)
1H-1,2,4-TRIAZOLE-1-PROPANOIC ACID,3,4-DIETHYL-4,5-DIHYDRO-5-OXO-
1H-1,2,4-TRIAZOLE-1-PROPANOICACID, 3,4-DIETHYL-4,5-DIHYDRO-5-OXO-
404595-17-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 337.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.8±6.0 kJ/mol
Flash Point: 157.9±28.4 °C
Index of Refraction: 1.575
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 165.4±7.0 cm3

Click to predict properties on the Chemicalize site


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