ChemSpider 2D Image | Entacapone-d10 | C14H5D10N3O5

Entacapone-d10

  • Molecular FormulaC14H5D10N3O5
  • Average mass315.348 Da
  • Monoisotopic mass315.163940 Da
  • ChemSpider ID21467798

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-2-Cyan-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-bis[(2H5)ethyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-bis[(2H5)ethyl]acrylamide [ACD/IUPAC Name]
(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophényl)-N,N-bis[(2H5)éthyl]acrylamide [French] [ACD/IUPAC Name]
1185241-19-3 [RN]
2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-di(ethyl-d5)-, (2E)- [ACD/Index Name]
Entacapone-d10
(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
2E-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-di-(ethyl-d5)-2-propenamide
Entacapone D10 (E isomer)
Entacapone-d10 (N,N-diethyl-d10)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 526.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 272.3±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 7.89
ACD/KOC (pH 5.5): 118.84
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 130 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 219.2±3.0 cm3

Click to predict properties on the Chemicalize site


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