ChemSpider 2D Image | 1-(3-Bromobenzyl)-3-piperidinyl (2E)-3-phenylacrylate | C21H22BrNO2

1-(3-Bromobenzyl)-3-piperidinyl (2E)-3-phenylacrylate

  • Molecular FormulaC21H22BrNO2
  • Average mass400.309 Da
  • Monoisotopic mass399.083374 Da
  • ChemSpider ID22813051

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Phénylacrylate de 1-(3-bromobenzyl)-3-pipéridinyle [French] [ACD/IUPAC Name]
1-(3-Brombenzyl)-3-piperidinyl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
1-(3-Bromobenzyl)-3-piperidinyl (2E)-3-phenylacrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, 1-[(3-bromophenyl)methyl]-3-piperidinyl ester, (2E)- [ACD/Index Name]
[1-[(3-BROMOPHENYL)METHYL]PIPERIDIN-3-YL] (E)-3-PHENYLPROP-2-ENOATE
1-[(3-BROMOPHENYL)METHYL]PIPERIDIN-3-YL (2E)-3-PHENYLPROP-2-ENOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.3±28.7 °C
Index of Refraction: 1.627
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 18.30
ACD/KOC (pH 5.5): 64.83
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 900.23
ACD/KOC (pH 7.4): 3189.58
Polar Surface Area: 30 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 294.8±5.0 cm3

Click to predict properties on the Chemicalize site


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