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Search term: NC(=O)c1cc(c(NCCCC(O)=O)cc1NCc1cccnc1)[N+]([O-])=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-({4-Carbamoyl-2-nitro-5-[(3-pyridinylmethyl)amino]phenyl}amino)butanoic acid | C17H19N5O5

4-({4-Carbamoyl-2-nitro-5-[(3-pyridinylmethyl)amino]phenyl}amino)butanoic acid

  • Molecular FormulaC17H19N5O5
  • Average mass373.363 Da
  • Monoisotopic mass373.138611 Da
  • ChemSpider ID35034746

More details:

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

4-({4-Carbamoyl-2-nitro-5-[(3-pyridinylmethyl)amino]phenyl}amino)butanoic acid [ACD/IUPAC Name]
4-({4-Carbamoyl-2-nitro-5-[(3-pyridinylmethyl)amino]phenyl}amino)butansäure [German] [ACD/IUPAC Name]
4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid
Acide 4-({4-carbamoyl-2-nitro-5-[(3-pyridinylméthyl)amino]phényl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-(aminocarbonyl)-2-nitro-5-[(3-pyridinylmethyl)amino]phenyl]amino]- [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: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.7±31.5 °C
Index of Refraction: 1.697
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 41.51
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 77.5±3.0 dyne/cm
Molar Volume: 257.0±3.0 cm3

Click to predict properties on the Chemicalize site


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