ChemSpider 2D Image | 3,4-Bis((benzyloxy)carbonyl)piperazine-2-carboxylic acid | C21H22N2O6

3,4-Bis((benzyloxy)carbonyl)piperazine-2-carboxylic acid

  • Molecular FormulaC21H22N2O6
  • Average mass398.409 Da
  • Monoisotopic mass398.147797 Da
  • ChemSpider ID25950272

More details:

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

1,2,3-Piperazinetricarboxylic acid, 1,2-bis(phenylmethyl) ester [ACD/Index Name]
3,4-Bis((benzyloxy)carbonyl)piperazine-2-carboxylic acid
3,4-Bis[(benzyloxy)carbonyl]-2-piperazincarbonsäure [German] [ACD/IUPAC Name]
3,4-Bis[(benzyloxy)carbonyl]-2-piperazinecarboxylic acid [ACD/IUPAC Name]
370891-25-1 [RN]
Acide 3,4-bis[(benzyloxy)carbonyl]-2-pipérazinecarboxylique [French] [ACD/IUPAC Name]
1,2-bis(benzyloxycarbonyl)piperazine-3-carboxylic acid
3,4-bis(benzyloxycarbonyl)piperazine-2-carboxylic acid
3,4-BIS[(BENZYLOXY)CARBONYL]PIPERAZINE-2-CARBOXYLIC ACID
72064-51-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 593.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.6±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.08
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.29
Polar Surface Area: 105 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 302.4±3.0 cm3

Click to predict properties on the Chemicalize site


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