ChemSpider 2D Image | 2-Amino-1-[4-(isobutylsulfanyl)phenyl]-1-propanone | C13H19NOS

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

  • Molecular FormulaC13H19NOS
  • Average mass237.361 Da
  • Monoisotopic mass237.118729 Da
  • ChemSpider ID24222787

More details:

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

1-Propanone, 2-amino-1-[4-[(2-methylpropyl)thio]phenyl]- [ACD/Index Name]
2-Amino-1-[4-(isobutylsulfanyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
2-Amino-1-[4-(isobutylsulfanyl)phenyl]-1-propanone [ACD/IUPAC Name]
2-Amino-1-[4-(isobutylsulfanyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
2-amino-1-(4-(isobutylthio)phenyl)propan-1-one
81549-90-8 [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: 378.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 182.4±23.7 °C
Index of Refraction: 1.555
Molar Refractivity: 70.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 43.40
ACD/KOC (pH 7.4): 423.43
Polar Surface Area: 68 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 220.7±5.0 cm3

Click to predict properties on the Chemicalize site


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