ChemSpider 2D Image | (2S)-1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-pentanone | C15H22ClNO

(2S)-1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-pentanone

  • Molecular FormulaC15H22ClNO
  • Average mass267.794 Da
  • Monoisotopic mass267.138977 Da
  • ChemSpider ID57642830

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-pentanone [ACD/IUPAC Name]
(2S)-1-(3-Chlorophényl)-2-[(2-méthyl-2-propanyl)amino]-1-pentanone [French] [ACD/IUPAC Name]
(2S)-1-(3-Chlorphenyl)-2-[(2-methyl-2-propanyl)amino]-1-pentanon [German] [ACD/IUPAC Name]
1-Pentanone, 1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 365.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 174.6±23.7 °C
Index of Refraction: 1.510
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 11.53
ACD/KOC (pH 5.5): 60.19
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 417.13
ACD/KOC (pH 7.4): 2177.23
Polar Surface Area: 29 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 257.7±3.0 cm3

Click to predict properties on the Chemicalize site


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