ChemSpider 2D Image | N-({3-[(3,5-Dinitrobenzoyl)amino]propyl}carbamoyl)-beta-alanine | C14H17N5O8

N-({3-[(3,5-Dinitrobenzoyl)amino]propyl}carbamoyl)-β-alanine

  • Molecular FormulaC14H17N5O8
  • Average mass383.314 Da
  • Monoisotopic mass383.107727 Da
  • ChemSpider ID76066445

More details:

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

N-({3-[(3,5-Dinitrobenzoyl)amino]propyl}carbamoyl)-β-alanin [German] [ACD/IUPAC Name]
N-({3-[(3,5-Dinitrobenzoyl)amino]propyl}carbamoyl)-β-alanine [ACD/IUPAC Name]
N-({3-[(3,5-Dinitrobenzoyl)amino]propyl}carbamoyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[[3-[(3,5-dinitrobenzoyl)amino]propyl]amino]carbonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 708.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 261.9±3.0 cm3

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