ChemSpider 2D Image | N-[(4-Methoxy-4-oxobutyl)sulfonyl]-N-methylalanine | C9H17NO6S

N-[(4-Methoxy-4-oxobutyl)sulfonyl]-N-methylalanine

  • Molecular FormulaC9H17NO6S
  • Average mass267.299 Da
  • Monoisotopic mass267.077667 Da
  • ChemSpider ID39977242

More details:

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

Butanoic acid, 4-[[(1-carboxyethyl)methylamino]sulfonyl]-, 1-methyl ester [ACD/Index Name]
N-[(4-Methoxy-4-oxobutyl)sulfonyl]-N-methylalanin [German] [ACD/IUPAC Name]
N-[(4-Methoxy-4-oxobutyl)sulfonyl]-N-methylalanine [ACD/IUPAC Name]
N-[(4-Méthoxy-4-oxobutyl)sulfonyl]-N-méthylalanine [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: 425.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 210.8±31.5 °C
Index of Refraction: 1.499
Molar Refractivity: 59.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -1.76
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: 109 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 203.9±3.0 cm3

Click to predict properties on the Chemicalize site


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