ChemSpider 2D Image | 2-Amino-1-[4-(propylsulfanyl)phenyl]-1-propanone | C12H17NOS

2-Amino-1-[4-(propylsulfanyl)phenyl]-1-propanone

  • Molecular FormulaC12H17NOS
  • Average mass223.335 Da
  • Monoisotopic mass223.103088 Da
  • ChemSpider ID24222812

More details:

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

1-Propanone, 2-amino-1-[4-(propylthio)phenyl]- [ACD/Index Name]
2-Amino-1-[4-(propylsulfanyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
2-Amino-1-[4-(propylsulfanyl)phenyl]-1-propanone [ACD/IUPAC Name]
2-Amino-1-[4-(propylsulfanyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
2-amino-1-(4-(propylthio)phenyl)propan-1-one
785048-82-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 371.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.3±23.7 °C
Index of Refraction: 1.564
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.65
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 17.14
ACD/KOC (pH 7.4): 217.32
Polar Surface Area: 68 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 203.8±5.0 cm3

Click to predict properties on the Chemicalize site


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