ChemSpider 2D Image | 2-[(~2~H_5_)Ethyloxy]-4-[2-({3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid | C27H31D5N2O4

2-[(2H5)Ethyloxy]-4-[2-({3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid

  • Molecular FormulaC27H31D5N2O4
  • Average mass457.616 Da
  • Monoisotopic mass457.298889 Da
  • ChemSpider ID58793365
  • Non-standard isotope - Non-standard isotope


More details:






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

2-[(2H5)Ethyloxy]-4-[2-({3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(2H5)Ethyloxy]-4-[2-({3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(2H5)éthyloxy]-4-[2-({3-méthyl-1-[2-(1-pipéridinyl)phényl]butyl}amino)-2-oxoéthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(ethyl-d5-oxy)-4-[2-[[3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]- [ACD/Index Name]
135062-02-1 [RN]
MFCD00865507
Repaglinide [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 58.10
ACD/KOC (pH 5.5): 207.09
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 14.06
Polar Surface Area: 79 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 397.9±3.0 cm3

Click to predict properties on the Chemicalize site






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