ChemSpider 2D Image | 1-[(1-Methoxy-3-methyl-2-butanyl)amino]-2-(3-thienyl)-2-propanol | C13H23NO2S

1-[(1-Methoxy-3-methyl-2-butanyl)amino]-2-(3-thienyl)-2-propanol

  • Molecular FormulaC13H23NO2S
  • Average mass257.392 Da
  • Monoisotopic mass257.144958 Da
  • ChemSpider ID35155457

More details:

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

1-[(1-Methoxy-3-methyl-2-butanyl)amino]-2-(3-thienyl)-2-propanol [German] [ACD/IUPAC Name]
1-[(1-Methoxy-3-methyl-2-butanyl)amino]-2-(3-thienyl)-2-propanol [ACD/IUPAC Name]
1-[(1-Méthoxy-3-méthyl-2-butanyl)amino]-2-(3-thiényl)-2-propanol [French] [ACD/IUPAC Name]
3-Thiophenemethanol, α-[[[1-(methoxymethyl)-2-methylpropyl]amino]methyl]-α-methyl- [ACD/Index Name]
1-[(1-METHOXY-3-METHYLBUTAN-2-YL)AMINO]-2-(THIOPHEN-3-YL)PROPAN-2-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: 368.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 176.7±25.1 °C
Index of Refraction: 1.516
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 15.14
Polar Surface Area: 70 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 241.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement