ChemSpider 2D Image | N-({3-[(3,5-Dinitrobenzoyl)amino]-1-piperidinyl}carbonyl)-N-methyl-beta-alanine | C17H21N5O8

N-({3-[(3,5-Dinitrobenzoyl)amino]-1-piperidinyl}carbonyl)-N-methyl-β-alanine

  • Molecular FormulaC17H21N5O8
  • Average mass423.377 Da
  • Monoisotopic mass423.139008 Da
  • ChemSpider ID59321609

More details:

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

N-({3-[(3,5-Dinitrobenzoyl)amino]-1-piperidinyl}carbonyl)-N-methyl-β-alanin [German] [ACD/IUPAC Name]
N-({3-[(3,5-Dinitrobenzoyl)amino]-1-piperidinyl}carbonyl)-N-methyl-β-alanine [ACD/IUPAC Name]
N-({3-[(3,5-Dinitrobenzoyl)amino]-1-pipéridinyl}carbonyl)-N-méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[3-[(3,5-dinitrobenzoyl)amino]-1-piperidinyl]carbonyl]-N-methyl- [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: 665.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.2±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 283.2±5.0 cm3

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