ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[2-hydroxy-3-(2-methoxyethoxy)propyl]-1,4-diazepane-1-carboxylate | C16H32N2O5

2-Methyl-2-propanyl 4-[2-hydroxy-3-(2-methoxyethoxy)propyl]-1,4-diazepane-1-carboxylate

  • Molecular FormulaC16H32N2O5
  • Average mass332.436 Da
  • Monoisotopic mass332.231110 Da
  • ChemSpider ID55366075

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-[2-hydroxy-3-(2-methoxyethoxy)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[2-hydroxy-3-(2-methoxyethoxy)propyl]-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[2-hydroxy-3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
4-[2-Hydroxy-3-(2-méthoxyéthoxy)propyl]-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: 1.1±0.1 g/cm3
Boiling Point: 435.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 217.4±28.7 °C
Index of Refraction: 1.483
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.98
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 66.11
Polar Surface Area: 71 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 307.7±3.0 cm3

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