ChemSpider 2D Image | Ethyl [5-(4-morpholinyl)-3-nitro-1H-1,2,4-triazol-1-yl]acetate | C10H15N5O5

Ethyl [5-(4-morpholinyl)-3-nitro-1H-1,2,4-triazol-1-yl]acetate

  • Molecular FormulaC10H15N5O5
  • Average mass285.257 Da
  • Monoisotopic mass285.107330 Da
  • ChemSpider ID21802093

More details:






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

[5-(4-Morpholinyl)-3-nitro-1H-1,2,4-triazol-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-acetic acid, 5-(4-morpholinyl)-3-nitro-, ethyl ester [ACD/Index Name]
Ethyl [5-(4-morpholinyl)-3-nitro-1H-1,2,4-triazol-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[5-(4-morpholinyl)-3-nitro-1H-1,2,4-triazol-1-yl]acetat [German] [ACD/IUPAC Name]
(5-Morpholin-4-yl-3-nitro-[1,2,4]triazol-1-yl)-acetic acid ethyl ester
1129406-52-5 [RN]
ethyl [5-(morpholin-4-yl)-3-nitro-1H-1,2,4-triazol-1-yl]acetate
ethyl 2-(5-morpholin-4-yl-3-nitro-1,2,4-triazol-1-yl)acetate
ethyl 2-(5-morpholin-4-yl-3-nitro-1,2,4-triazolyl)acetate
ethyl 2-(5-morpholino-3-nitro-1H-1,2,4-triazol-1-yl)acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 505.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.7±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 66.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.39
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.40
Polar Surface Area: 115 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 182.4±7.0 cm3

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