ChemSpider 2D Image | 1-Benzyl 3-ethyl (3R)-3-allyl-1,3-piperidinedicarboxylate | C19H25NO4

1-Benzyl 3-ethyl (3R)-3-allyl-1,3-piperidinedicarboxylate

  • Molecular FormulaC19H25NO4
  • Average mass331.406 Da
  • Monoisotopic mass331.178345 Da
  • ChemSpider ID122900399

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Allyl-1,3-pipéridinedicarboxylate de 1-benzyle et de 3-éthyle [French] [ACD/IUPAC Name]
1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 3-ethyl 1-(phenylmethyl) ester, (3R)- [ACD/Index Name]
1-Benzyl 3-ethyl (3R)-3-allyl-1,3-piperidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-3-ethyl-(3R)-3-allyl-1,3-piperidindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 430.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.1±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 401.71
ACD/KOC (pH 5.5): 2543.82
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 401.71
ACD/KOC (pH 7.4): 2543.82
Polar Surface Area: 56 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

Click to predict properties on the Chemicalize site


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