ChemSpider 2D Image | 5,5-Dimethyl-2-[(2-thienylmethyl)amino]-1,4-hexanediol | C13H23NO2S

5,5-Dimethyl-2-[(2-thienylmethyl)amino]-1,4-hexanediol

  • Molecular FormulaC13H23NO2S
  • Average mass257.392 Da
  • Monoisotopic mass257.144958 Da
  • ChemSpider ID60529080

More details:

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

1,4-Hexanediol, 5,5-dimethyl-2-[(2-thienylmethyl)amino]- [ACD/Index Name]
5,5-Dimethyl-2-[(2-thienylmethyl)amino]-1,4-hexandiol [German] [ACD/IUPAC Name]
5,5-Dimethyl-2-[(2-thienylmethyl)amino]-1,4-hexanediol [ACD/IUPAC Name]
5,5-Diméthyl-2-[(2-thiénylméthyl)amino]-1,4-hexanediol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 408.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 200.6±27.3 °C
Index of Refraction: 1.544
Molar Refractivity: 73.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 58.65
Polar Surface Area: 81 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

Click to predict properties on the Chemicalize site


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