ChemSpider 2D Image | Isobutyl 4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,4-diazepane-1-carboxylate | C15H29N3O4

Isobutyl 4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,4-diazepane-1-carboxylate

  • Molecular FormulaC15H29N3O4
  • Average mass315.409 Da
  • Monoisotopic mass315.215820 Da
  • ChemSpider ID30189785

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-, 2-methylpropyl ester [ACD/Index Name]
4-{2-[(2-Méthoxyéthyl)amino]-2-oxoéthyl}-1,4-diazépane-1-carboxylate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
Isobutyl-4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-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: 1.1±0.1 g/cm3
Boiling Point: 467.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.6±28.7 °C
Index of Refraction: 1.482
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 48.23
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.12
ACD/KOC (pH 7.4): 78.34
Polar Surface Area: 71 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 293.2±3.0 cm3

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