ChemSpider 2D Image | ML-335 | C25H32N2O3

ML-335

  • Molecular FormulaC25H32N2O3
  • Average mass408.533 Da
  • Monoisotopic mass408.241302 Da
  • ChemSpider ID22208715

More details:

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

1-(4-Acétamidobenzyl)-4-(2-phényléthyl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1069498-96-9 [RN]
4-Piperidinecarboxylic acid, 1-[[4-(acetylamino)phenyl]methyl]-4-(2-phenylethyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-acetamidobenzyl)-4-(2-phenylethyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
ethyl 1-[(4-acetamidophenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
Ethyl-1-(4-acetamidobenzyl)-4-(2-phenylethyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ML-335
[1069498-96-9] [RN]
1-(4-acetamidobenzyl)-4-phenethyl-isonipecotic acid ethyl ester
1-[[4-(acetylamino)phenyl]methyl]-4-(2-phenylethyl)-4-piperidinecarboxylic acid, ethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 562.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.0±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 18.00
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 176.22
ACD/KOC (pH 7.4): 917.35
Polar Surface Area: 59 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 359.7±3.0 cm3

Click to predict properties on the Chemicalize site


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