Found 259 results

Search term: MF = 'C_{20}H_{29}NO_{2}S'
ChemSpider 2D Image | 2-{[3-(Hydroxymethyl)-2,4,6-trimethylbenzyl](2-thienylmethyl)amino}-1-butanol | C20H29NO2S

2-{[3-(Hydroxymethyl)-2,4,6-trimethylbenzyl](2-thienylmethyl)amino}-1-butanol

  • Molecular FormulaC20H29NO2S
  • Average mass347.515 Da
  • Monoisotopic mass347.191895 Da
  • ChemSpider ID29628575

More details:

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

2-{[3-(Hydroxymethyl)-2,4,6-trimethylbenzyl](2-thienylmethyl)amino}-1-butanol [German] [ACD/IUPAC Name]
2-{[3-(Hydroxymethyl)-2,4,6-trimethylbenzyl](2-thienylmethyl)amino}-1-butanol [ACD/IUPAC Name]
2-{[3-(Hydroxyméthyl)-2,4,6-triméthylbenzyl](2-thiénylméthyl)amino}-1-butanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-[[[1-(hydroxymethyl)propyl](2-thienylmethyl)amino]methyl]-2,4,6-trimethyl- [ACD/Index Name]
2-[[3-(hydroxymethyl)-2,4,6-trimethylbenzyl](2-thienylmethyl)amino]butan-1-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.1±27.3 °C
Index of Refraction: 1.590
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 29.74
ACD/KOC (pH 5.5): 157.67
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 572.66
ACD/KOC (pH 7.4): 3035.76
Polar Surface Area: 72 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 306.2±3.0 cm3

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