ChemSpider 2D Image | 1-(4-Pentenoyl)-4-(p-nitrophenylsulfonyl)-piperazine-2-carboxylic acid | C16H19N3O7S

1-(4-Pentenoyl)-4-(p-nitrophenylsulfonyl)-piperazine-2-carboxylic acid

  • Molecular FormulaC16H19N3O7S
  • Average mass397.403 Da
  • Monoisotopic mass397.094360 Da
  • ChemSpider ID21112079

More details:

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

1-(4-Pentenoyl)-4-(p-nitrophenylsulfonyl)-piperazine-2-carboxylic acid
2-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)sulfonyl]-1-(1-oxo-4-penten-1-yl)- [ACD/Index Name]
4-[(4-Nitrophenyl)sulfonyl]-1-(4-pentenoyl)-2-piperazincarbonsäure [German] [ACD/IUPAC Name]
4-[(4-Nitrophenyl)sulfonyl]-1-(4-pentenoyl)-2-piperazinecarboxylic acid [ACD/IUPAC Name]
4-[(4-Nitrophenyl)sulfonyl]-1-(pent-4-enoyl)piperazine-2-carboxylic acid
Acide 4-[(4-nitrophényl)sulfonyl]-1-(4-pentenoyl)-2-pipérazinecarboxylique [French] [ACD/IUPAC Name]
MFCD03840770 [MDL number]

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.2±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 275.8±3.0 cm3

Click to predict properties on the Chemicalize site


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