ChemSpider 2D Image | 4-HTMPIPO | C21H31NO2

4-HTMPIPO

  • Molecular FormulaC21H31NO2
  • Average mass329.476 Da
  • Monoisotopic mass329.235474 Da
  • ChemSpider ID32078885

More details:






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

1445751-38-1 [RN]
1-Pentanone, 4-hydroxy-3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)- [ACD/Index Name]
4-HTMPIPO [Wiki]
4-Hydroxy-3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)-1-pentanon [German] [ACD/IUPAC Name]
4-Hydroxy-3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)-1-pentanone [ACD/IUPAC Name]
4-Hydroxy-3,3,4-triméthyl-1-(1-pentyl-1H-indol-3-yl)-1-pentanone [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 490.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.2±23.2 °C
Index of Refraction: 1.527
Molar Refractivity: 100.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4161.48
ACD/KOC (pH 5.5): 13559.72
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4161.48
ACD/KOC (pH 7.4): 13559.72
Polar Surface Area: 42 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 35.3±7.0 dyne/cm
Molar Volume: 325.3±7.0 cm3

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