ChemSpider 2D Image | 1-(3-Chlorophenyl)-2-{[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]amino}-1-propanone | C13H9D9ClNO

1-(3-Chlorophenyl)-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-1-propanone

  • Molecular FormulaC13H9D9ClNO
  • Average mass248.797 Da
  • Monoisotopic mass248.164185 Da
  • ChemSpider ID24022423
  • Non-standard isotope - Non-standard isotope


More details:






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

1-(3-Chlorophenyl)-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-1-propanone [ACD/IUPAC Name]
1-(3-Chlorophényl)-2-{[2-(2H3)méthyl(2H6)-2-propanyl]amino}-1-propanone [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-2-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-(3-chlorophenyl)-2-[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]- [ACD/Index Name]
1-(3-Chlorophenyl)-2-{[2-(2H3)methyl(2H6)propan-2-yl]amino}propan-1-one
150988-80-0 [RN]
Bupropion-d9
MFCD07369195 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 334.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 156.3±23.7 °C
Index of Refraction: 1.516
Molar Refractivity: 67.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 25.15
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 82.09
ACD/KOC (pH 7.4): 717.87
Polar Surface Area: 29 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site






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