ChemSpider 2D Image | 1-[4-(1-Naphthylmethyl)-1-piperazinyl]-4-sulfanyl-1-butanone | C19H24N2OS

1-[4-(1-Naphthylmethyl)-1-piperazinyl]-4-sulfanyl-1-butanone

  • Molecular FormulaC19H24N2OS
  • Average mass328.472 Da
  • Monoisotopic mass328.160919 Da
  • ChemSpider ID26327021

More details:






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

1-[4-(1-Naphthylmethyl)-1-piperazinyl]-4-sulfanyl-1-butanon [German] [ACD/IUPAC Name]
1-[4-(1-Naphthylmethyl)-1-piperazinyl]-4-sulfanyl-1-butanone [ACD/IUPAC Name]
1-[4-(1-Naphtylméthyl)-1-pipérazinyl]-4-sulfanyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 4-mercapto-1-[4-(1-naphthalenylmethyl)-1-piperazinyl]- [ACD/Index Name]
4-[4-(Naphthalen-1-Ylmethyl)piperazin-1-Yl]-4-Oxobutane-1-Thiol
J30

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 69.83
ACD/KOC (pH 5.5): 538.66
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.70
ACD/KOC (pH 7.4): 1509.63
Polar Surface Area: 62 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 279.3±3.0 cm3

Click to predict properties on the Chemicalize site






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