ChemSpider 2D Image | N-(6-Anilinohexanoyl)-3-(4-hydroxy-2,4-dinitro-1,5-cyclohexadien-1-yl)alanine | C21H26N4O8

N-(6-Anilinohexanoyl)-3-(4-hydroxy-2,4-dinitro-1,5-cyclohexadien-1-yl)alanine

  • Molecular FormulaC21H26N4O8
  • Average mass462.453 Da
  • Monoisotopic mass462.175049 Da
  • ChemSpider ID28716799

More details:

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

1,5-Cyclohexadiene-1-propanoic acid, 4-hydroxy-2,4-dinitro-α-[[1-oxo-6-(phenylamino)hexyl]amino]- [ACD/Index Name]
N-(6-Anilinohexanoyl)-3-(4-hydroxy-2,4-dinitro-1,5-cyclohexadien-1-yl)alanin [German] [ACD/IUPAC Name]
N-(6-Anilinohexanoyl)-3-(4-hydroxy-2,4-dinitro-1,5-cyclohexadien-1-yl)alanine [ACD/IUPAC Name]
N-(6-Anilinohexanoyl)-3-(4-hydroxy-2,4-dinitro-1,5-cyclohexadién-1-yl)alanine [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: 814.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.4±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 330.7±5.0 cm3

Click to predict properties on the Chemicalize site


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