ChemSpider 2D Image | Methyl 3-oxo-1,4-diazepane-1-carboxylate | C7H12N2O3

Methyl 3-oxo-1,4-diazepane-1-carboxylate

  • Molecular FormulaC7H12N2O3
  • Average mass172.182 Da
  • Monoisotopic mass172.084793 Da
  • ChemSpider ID26053519

More details:






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

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-3-oxo-, methyl ester [ACD/Index Name]
3-Oxo-1,4-diazépane-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-oxo-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
Methyl-3-oxo-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
1258649-98-7 [RN]
METHYL-3-OXO-1,4-DIAZEPANE-1-CARBOXYLATE
MFCD17167233 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 362.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 173.2±25.9 °C
Index of Refraction: 1.477
Molar Refractivity: 41.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.25
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.25
Polar Surface Area: 59 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 145.4±3.0 cm3

Click to predict properties on the Chemicalize site






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