ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-4-benzyl-2-(2-hydroxyethyl)-1-piperazinecarboxylate | C18H28N2O3

2-Methyl-2-propanyl (2S)-4-benzyl-2-(2-hydroxyethyl)-1-piperazinecarboxylate

  • Molecular FormulaC18H28N2O3
  • Average mass320.427 Da
  • Monoisotopic mass320.209991 Da
  • ChemSpider ID18894839
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-4-Benzyl-2-(2-hydroxyéthyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 2-(2-hydroxyethyl)-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-4-benzyl-2-(2-hydroxyethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-4-benzyl-2-(2-hydroxyethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(s)-4-benzyl-2-(2-hydroxyethyl)piperazine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 4-benzyl-2-(2-hydroxyethyl)piperazine-1-carboxylate
(S)-tert-Butyl 4-benzyl-2-(2-hydroxyethyl)-piperazine-1-carboxylate
(S)-TERT-BUTYL-4-BENZYL-2-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE
[169447-92-1]
169447-92-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 430.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.8±25.9 °C
Index of Refraction: 1.538
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 7.08
ACD/KOC (pH 5.5): 84.66
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.31
ACD/KOC (pH 7.4): 482.11
Polar Surface Area: 53 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 289.1±3.0 cm3

Click to predict properties on the Chemicalize site






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