ChemSpider 2D Image | (2S)-3-[Ethyl(3-methylphenyl)amino]-2-hydroxy-1-propanesulfonic acid | C12H19NO4S

(2S)-3-[Ethyl(3-methylphenyl)amino]-2-hydroxy-1-propanesulfonic acid

  • Molecular FormulaC12H19NO4S
  • Average mass273.349 Da
  • Monoisotopic mass273.103485 Da
  • ChemSpider ID32809881

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-[Ethyl(3-methylphenyl)amino]-2-hydroxy-1-propanesulfonic acid [ACD/IUPAC Name]
(2S)-3-[Ethyl(3-methylphenyl)amino]-2-hydroxy-1-propansulfonsäure [German] [ACD/IUPAC Name]
1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, (2S)- [ACD/Index Name]
Acide (2S)-3-[éthyl(3-méthylphényl)amino]-2-hydroxy-1-propanesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 209.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement