ChemSpider 2D Image | N-(2-Aminoethyl)-N~3~-carbamoyl-N-(ethoxycarbonyl)-beta-alaninamide | C9H18N4O4

N-(2-Aminoethyl)-N3-carbamoyl-N-(ethoxycarbonyl)-β-alaninamide

  • Molecular FormulaC9H18N4O4
  • Average mass246.264 Da
  • Monoisotopic mass246.132813 Da
  • ChemSpider ID60323513

More details:

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

Carbamic acid, N-[3-[(aminocarbonyl)amino]-1-oxopropyl]-N-(2-aminoethyl)-, ethyl ester [ACD/Index Name]
N-(2-Aminoethyl)-N3-carbamoyl-N-(ethoxycarbonyl)-β-alaninamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-N3-carbamoyl-N-(ethoxycarbonyl)-β-alaninamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-N3-carbamoyl-N-(éthoxycarbonyl)-β-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 459.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.9±28.7 °C
Index of Refraction: 1.517
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -3.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 198.2±3.0 cm3

Click to predict properties on the Chemicalize site


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