ChemSpider 2D Image | DMBMPP | C21H26BrNO3

DMBMPP

  • Molecular FormulaC21H26BrNO3
  • Average mass420.340 Da
  • Monoisotopic mass419.109589 Da
  • ChemSpider ID59718542

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6S)-2-(4-Brom-2,5-dimethoxybenzyl)-6-(2-methoxyphenyl)piperidin [German] [ACD/IUPAC Name]
(2S,6S)-2-(4-Bromo-2,5-dimethoxybenzyl)-6-(2-methoxyphenyl)piperidine [ACD/IUPAC Name]
(2S,6S)-2-(4-Bromo-2,5-diméthoxybenzyl)-6-(2-méthoxyphényl)pipéridine [French] [ACD/IUPAC Name]
1391499-52-7 [RN]
2-(2,5-dimethoxy-4-bromobenzyl)-6-(2-methoxyphenyl)piperidine
DMBMPP [Wiki]
Piperidine, 2-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-(2-methoxyphenyl)-, (2S,6S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 502.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 9.79
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 32.91
ACD/KOC (pH 7.4): 118.46
Polar Surface Area: 40 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 333.2±3.0 cm3

Click to predict properties on the Chemicalize site


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