ChemSpider 2D Image | Benzyl 2-(bromomethyl)-4-[1-(2-ethoxy-2-oxoethyl)hydrazino]-4-oxobutanoate | C16H21BrN2O5

Benzyl 2-(bromomethyl)-4-[1-(2-ethoxy-2-oxoethyl)hydrazino]-4-oxobutanoate

  • Molecular FormulaC16H21BrN2O5
  • Average mass401.252 Da
  • Monoisotopic mass400.063385 Da
  • ChemSpider ID29355557

More details:

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

2-(Bromométhyl)-4-[1-(2-éthoxy-2-oxoéthyl)hydrazino]-4-oxobutanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl 2-(bromomethyl)-4-[1-(2-ethoxy-2-oxoethyl)hydrazino]-4-oxobutanoate [ACD/IUPAC Name]
Benzyl-2-(brommethyl)-4-[1-(2-ethoxy-2-oxoethyl)hydrazino]-4-oxobutanoat [German] [ACD/IUPAC Name]
Butanedioic acid, 2-(bromomethyl)-, 1-(phenylmethyl) ester, 4-[1-(2-ethoxy-2-oxoethyl)hydrazide] [ACD/Index Name]
959246-79-8 [RN]
Ethyl (3-Cbz-amino-4-bromobutyrylamino)acetate
ETHYL(3-CBZ-AMINO-4-BROMOBUTYRYLAMINO)ACETATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.3±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.35
ACD/KOC (pH 5.5): 437.52
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.35
ACD/KOC (pH 7.4): 437.54
Polar Surface Area: 99 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 282.9±3.0 cm3

Click to predict properties on the Chemicalize site


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