Found 275 results

Search term: MF = 'C_{17}H_{22}N_{4}O_{7}'
ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(3,5-dinitrobenzoyl)-1,4-diazepane-1-carboxylate | C17H22N4O7

2-Methyl-2-propanyl 4-(3,5-dinitrobenzoyl)-1,4-diazepane-1-carboxylate

  • Molecular FormulaC17H22N4O7
  • Average mass394.379 Da
  • Monoisotopic mass394.148834 Da
  • ChemSpider ID34567439

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, 4-(3,5-dinitrobenzoyl)hexahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3,5-dinitrobenzoyl)-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3,5-dinitrobenzoyl)-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
4-(3,5-Dinitrobenzoyl)-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.34
ACD/KOC (pH 5.5): 290.08
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.34
ACD/KOC (pH 7.4): 290.08
Polar Surface Area: 141 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 294.2±3.0 cm3

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