ChemSpider 2D Image | 2-[{3-Acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-cyanoethyl)amino]ethyl acetate | C21H21ClN6O5

2-[{3-Acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-cyanoethyl)amino]ethyl acetate

  • Molecular FormulaC21H21ClN6O5
  • Average mass472.882 Da
  • Monoisotopic mass472.126190 Da
  • ChemSpider ID21173239

More details:

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

2-[{3-Acetamido-4-[(2-chlor-4-nitrophenyl)diazenyl]phenyl}(2-cyanethyl)amino]ethyl-acetat [German] [ACD/IUPAC Name]
2-[{3-Acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-cyanoethyl)amino]ethyl acetate [ACD/IUPAC Name]
249-033-4 [EINECS]
Acetamide, N-[5-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]-2-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]- [ACD/Index Name]
Acétate de 2-[{3-acétamido-4-[(2-chloro-4-nitrophényl)diazényl]phényl}(2-cyanoéthyl)amino]éthyle [French] [ACD/IUPAC Name]
2-[[3-acetamido-4-[(2-chloro-4-nitrophenyl)azo]phenyl](2-cyanoethyl)amino]ethyl acetate
28462-17-1 [RN]
61931-39-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 743.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.7±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 122.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 906.67
ACD/KOC (pH 5.5): 4555.56
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 906.70
ACD/KOC (pH 7.4): 4555.66
Polar Surface Area: 153 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 349.0±7.0 cm3

Click to predict properties on the Chemicalize site


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