ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-(4-chlorobenzyl)-3-formyl-1-piperidinecarboxylate | C18H24ClNO3

2-Methyl-2-propanyl (3S)-3-(4-chlorobenzyl)-3-formyl-1-piperidinecarboxylate

  • Molecular FormulaC18H24ClNO3
  • Average mass337.841 Da
  • Monoisotopic mass337.144470 Da
  • ChemSpider ID32788189
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-(4-Chlorobenzyl)-3-formyl-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-[(4-chlorophenyl)methyl]-3-formyl-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-(4-chlorobenzyl)-3-formyl-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-(4-chlorbenzyl)-3-formyl-1-piperidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 433.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.0±25.9 °C
Index of Refraction: 1.571
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 638.29
ACD/KOC (pH 5.5): 3543.51
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 638.29
ACD/KOC (pH 7.4): 3543.51
Polar Surface Area: 47 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

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