ChemSpider 2D Image | Methyl (2Z)-3-(5-amino-3,4-diethyl-1H-pyrrol-2-yl)-2-cyanoacrylate | C13H17N3O2

Methyl (2Z)-3-(5-amino-3,4-diethyl-1H-pyrrol-2-yl)-2-cyanoacrylate

  • Molecular FormulaC13H17N3O2
  • Average mass247.293 Da
  • Monoisotopic mass247.132080 Da
  • ChemSpider ID30652977

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(5-Amino-3,4-diéthyl-1H-pyrrol-2-yl)-2-cyanoacrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(5-amino-3,4-diethyl-1H-pyrrol-2-yl)-2-cyano-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-3-(5-amino-3,4-diethyl-1H-pyrrol-2-yl)-2-cyanoacrylate [ACD/IUPAC Name]
Methyl-(2Z)-3-(5-amino-3,4-diethyl-1H-pyrrol-2-yl)-2-cyanacrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 441.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.6±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.82
ACD/KOC (pH 5.5): 250.63
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.94
ACD/KOC (pH 7.4): 252.59
Polar Surface Area: 92 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 206.3±3.0 cm3

Click to predict properties on the Chemicalize site


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