ChemSpider 2D Image | (2E)-3-{6-[(1E)-1-[4-(~2~H_3_)Methyl(~2~H_4_)phenyl]-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid | C22H17D7N2O2

(2E)-3-{6-[(1E)-1-[4-(2H3)Methyl(2H4)phenyl]-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid

  • Molecular FormulaC22H17D7N2O2
  • Average mass355.481 Da
  • Monoisotopic mass355.227722 Da
  • ChemSpider ID8603731

  • 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)-3-{6-[(1E)-1-[4-(2H3)Methyl(2H4)phenyl]-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{6-[(1E)-1-[4-(2H3)Methyl(2H4)phenyl]-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[6-[(1E)-1-[4-(methyl-d3)phenyl-2,3,5,6-d4]-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{6-[(1E)-1-[4-(2H3)méthyl(2H4)phényl]-3-(1-pyrrolidinyl)-1-propén-1-yl]-2-pyridinyl}acrylique [French] [ACD/IUPAC Name]
(E)-3-[6-[(E)-3-pyrrolidin-1-yl-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]prop-1-enyl]pyridin-2-yl]prop-2-enoic acid
172165-56-9 [RN]
Acrivastine D7

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.5±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.62
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.87
Polar Surface Area: 53 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 297.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement