ChemSpider 2D Image | N-[(1-Methoxy-2-propanyl)sulfonyl]-beta-alanine | C7H15NO5S

N-[(1-Methoxy-2-propanyl)sulfonyl]-β-alanine

  • Molecular FormulaC7H15NO5S
  • Average mass225.263 Da
  • Monoisotopic mass225.067093 Da
  • ChemSpider ID54270815

More details:

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

N-[(1-Methoxy-2-propanyl)sulfonyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(1-Methoxy-2-propanyl)sulfonyl]-β-alanine [ACD/IUPAC Name]
N-[(1-Méthoxy-2-propanyl)sulfonyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(2-methoxy-1-methylethyl)sulfonyl]- [ACD/Index 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: 387.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.9±6.0 kJ/mol
Flash Point: 188.4±30.7 °C
Index of Refraction: 1.486
Molar Refractivity: 50.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 175.3±3.0 cm3

Click to predict properties on the Chemicalize site


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