ChemSpider 2D Image | (2R)-3-[(3,5-Dimethoxyphenyl)(ethyl)amino]-2-hydroxy-1-propanesulfonic acid | C13H21NO6S

(2R)-3-[(3,5-Dimethoxyphenyl)(ethyl)amino]-2-hydroxy-1-propanesulfonic acid

  • Molecular FormulaC13H21NO6S
  • Average mass319.374 Da
  • Monoisotopic mass319.108948 Da
  • ChemSpider ID32797880

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-[(3,5-Dimethoxyphenyl)(ethyl)amino]-2-hydroxy-1-propanesulfonic acid [ACD/IUPAC Name]
(2R)-3-[(3,5-Dimethoxyphenyl)(ethyl)amino]-2-hydroxy-1-propansulfonsäure [German] [ACD/IUPAC Name]
1-Propanesulfonic acid, 3-[(3,5-dimethoxyphenyl)ethylamino]-2-hydroxy-, (2R)- [ACD/Index Name]
Acide (2R)-3-[(3,5-diméthoxyphényl)(éthyl)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: 1.563
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 241.4±3.0 cm3

Click to predict properties on the Chemicalize site


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