ChemSpider 2D Image | (2R)-1-Benzyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}piperazin-1-ium-2-carboxylate | C17H24N2O4

(2R)-1-Benzyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}piperazin-1-ium-2-carboxylate

  • Molecular FormulaC17H24N2O4
  • Average mass320.384 Da
  • Monoisotopic mass320.173615 Da
  • ChemSpider ID32788633

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-Benzyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}piperazin-1-ium-2-carboxylat [German] [ACD/IUPAC Name]
(2R)-1-Benzyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}piperazin-1-ium-2-carboxylate [ACD/IUPAC Name]
(2R)-1-Benzyl-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}pipérazin-1-ium-2-carboxylate [French] [ACD/IUPAC Name]
1,3-Piperazinedicarboxylic acid, 4-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3R)- [ACD/Index Name]

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

Density:
Boiling Point: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 228.8±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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