ChemSpider 2D Image | N-{1-[(4-Acetamidobutyl)amino]-3-hydroxy-1-oxo-2-propanyl}-2-methyl-3,5-dinitrobenzamide | C17H23N5O8

N-{1-[(4-Acetamidobutyl)amino]-3-hydroxy-1-oxo-2-propanyl}-2-methyl-3,5-dinitrobenzamide

  • Molecular FormulaC17H23N5O8
  • Average mass425.393 Da
  • Monoisotopic mass425.154663 Da
  • ChemSpider ID121182343

More details:

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

Benzamide, N-[2-[[4-(acetylamino)butyl]amino]-1-(hydroxymethyl)-2-oxoethyl]-2-methyl-3,5-dinitro- [ACD/Index Name]
N-{1-[(4-Acetamidobutyl)amino]-3-hydroxy-1-oxo-2-propanyl}-2-methyl-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-{1-[(4-Acetamidobutyl)amino]-3-hydroxy-1-oxo-2-propanyl}-2-methyl-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-{1-[(4-Acétamidobutyl)amino]-3-hydroxy-1-oxo-2-propanyl}-2-méthyl-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.3±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.27
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.26
Polar Surface Area: 199 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

Click to predict properties on the Chemicalize site


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