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Search term: NCCCNc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-[(3-Aminopropyl)amino]-5-nitro-2-[(3-pyridinylmethyl)amino]benzamide | C16H20N6O3

4-[(3-Aminopropyl)amino]-5-nitro-2-[(3-pyridinylmethyl)amino]benzamide

  • Molecular FormulaC16H20N6O3
  • Average mass344.368 Da
  • Monoisotopic mass344.159698 Da
  • ChemSpider ID35034628

More details:

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

4-[(3-Aminopropyl)amino]-5-nitro-2-[(3-pyridinylmethyl)amino]benzamid [German] [ACD/IUPAC Name]
4-[(3-Aminopropyl)amino]-5-nitro-2-[(3-pyridinylmethyl)amino]benzamide [ACD/IUPAC Name]
4-[(3-Aminopropyl)amino]-5-nitro-2-[(3-pyridinylméthyl)amino]benzamide [French] [ACD/IUPAC Name]
4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
Benzamide, 4-[(3-aminopropyl)amino]-5-nitro-2-[(3-pyridinylmethyl)amino]- [ACD/Index 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: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.8±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

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