ChemSpider 2D Image | N-Acetyl-N-(2-aminoethyl)-N~3~-carbamoyl-beta-alaninamide | C8H16N4O3

N-Acetyl-N-(2-aminoethyl)-N3-carbamoyl-β-alaninamide

  • Molecular FormulaC8H16N4O3
  • Average mass216.238 Da
  • Monoisotopic mass216.122238 Da
  • ChemSpider ID60323420

More details:

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

N-Acetyl-N-(2-aminoethyl)-N3-carbamoyl-β-alaninamid [German] [ACD/IUPAC Name]
N-Acetyl-N-(2-aminoethyl)-N3-carbamoyl-β-alaninamide [ACD/IUPAC Name]
N-Acétyl-N-(2-aminoéthyl)-N3-carbamoyl-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-acetyl-3-[(aminocarbonyl)amino]-N-(2-aminoethyl)- [ACD/Index 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: 410.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.3±28.7 °C
Index of Refraction: 1.523
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 175.4±3.0 cm3

Click to predict properties on the Chemicalize site


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