ChemSpider 2D Image | ?-pyrrolidinovalerothiophenone | C13H19NOS

?-pyrrolidinovalerothiophenone

  • Molecular FormulaC13H19NOS
  • Average mass237.361 Da
  • Monoisotopic mass237.118729 Da
  • ChemSpider ID29738196

More details:






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

?-pyrrolidinovalerothiophenone
1400742-66-6 [RN]
1-Pentanone, 2-(1-pyrrolidinyl)-1-(2-thienyl)- [ACD/Index Name]
2-(1-Pyrrolidinyl)-1-(2-thienyl)-1-pentanon [German] [ACD/IUPAC Name]
2-(1-Pyrrolidinyl)-1-(2-thienyl)-1-pentanone [ACD/IUPAC Name]
2-(1-Pyrrolidinyl)-1-(2-thiényl)-1-pentanone [French] [ACD/IUPAC Name]
α-PYRROLIDINOVALEROTHIOPHENONE
2-(Pyrrolidin-1-yl)-1-(thiophen-2-yl)pentan-1-one
A-PVT
MFCD27923023

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

6JA2K09914 [DBID]
UNII:6JA2K09914 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 359.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 170.9±22.3 °C
Index of Refraction: 1.554
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.76
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 14.38
ACD/KOC (pH 7.4): 139.34
Polar Surface Area: 49 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 213.8±3.0 cm3

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