Found 391 results

Search term: MF = 'C_{13}H_{20}N_{4}O_{5}'
ChemSpider 2D Image | Ethyl 4-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}butanoate | C13H20N4O5

Ethyl 4-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}butanoate

  • Molecular FormulaC13H20N4O5
  • Average mass312.322 Da
  • Monoisotopic mass312.143372 Da
  • ChemSpider ID22764182

More details:

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

4-{[2-(3,5-Diméthyl-4-nitro-1H-pyrazol-1-yl)acétyl]amino}butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}butanoate [ACD/IUPAC Name]
Ethyl-4-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}butanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 266.9±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.81
ACD/KOC (pH 5.5): 137.38
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.81
ACD/KOC (pH 7.4): 137.38
Polar Surface Area: 119 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 237.4±7.0 cm3

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