ChemSpider 2D Image | Isobutyl 4-[(2-methyl-4-nitro-1H-imidazol-1-yl)acetyl]-1,4-diazepane-1-carboxylate | C16H25N5O5

Isobutyl 4-[(2-methyl-4-nitro-1H-imidazol-1-yl)acetyl]-1,4-diazepane-1-carboxylate

  • Molecular FormulaC16H25N5O5
  • Average mass367.400 Da
  • Monoisotopic mass367.185577 Da
  • ChemSpider ID30713797

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-[2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetyl]-, 2-methylpropyl ester [ACD/Index Name]
4-[2-(2-Méthyl-4-nitro-1H-imidazol-1-yl)acétyl]-1,4-diazépane-1-carboxylate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 4-[(2-methyl-4-nitro-1H-imidazol-1-yl)acetyl]-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
Isobutyl-4-[(2-methyl-4-nitro-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-carboxylat [German] [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: 583.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.7±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.10
ACD/KOC (pH 5.5): 111.75
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 111.75
Polar Surface Area: 113 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 274.0±7.0 cm3

Click to predict properties on the Chemicalize site


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