ChemSpider 2D Image | (2Z)-2-Cyano-N-(4-iodo-2-methylphenyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acrylamide | C21H26IN3O

(2Z)-2-Cyano-N-(4-iodo-2-methylphenyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acrylamide

  • Molecular FormulaC21H26IN3O
  • Average mass463.355 Da
  • Monoisotopic mass463.112061 Da
  • ChemSpider ID34689901

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyan-N-(4-iod-2-methylphenyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acrylamid [German] [ACD/IUPAC Name]
(2Z)-2-Cyano-N-(4-iodo-2-methylphenyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acrylamide [ACD/IUPAC Name]
(2Z)-2-Cyano-N-(4-iodo-2-méthylphényl)-3-(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 2-cyano-N-(4-iodo-2-methylphenyl)-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.2±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6185.46
ACD/KOC (pH 5.5): 18002.17
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6187.54
ACD/KOC (pH 7.4): 18008.20
Polar Surface Area: 56 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 312.1±3.0 cm3

Click to predict properties on the Chemicalize site


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