ChemSpider 2D Image | (Z)-Entacapone | C14H15N3O5

(Z)-Entacapone

  • Molecular FormulaC14H15N3O5
  • Average mass305.286 Da
  • Monoisotopic mass305.101166 Da
  • ChemSpider ID10608657

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyan-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamid [German] [ACD/IUPAC Name]
(2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide [ACD/IUPAC Name]
(2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophényl)-N,N-diéthylacrylamide [French] [ACD/IUPAC Name]
(Z)-Entacapone
145195-63-7 [RN]
2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2Z)- [ACD/Index Name]
cis-Entacapone
ENTACAPONE, (Z)-
(2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
(2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
More...

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

4X96VV9HUQ [DBID]

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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