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Search term: MF = 'C_{9}H_{19}NO_{5}S'
ChemSpider 2D Image | 4-{[(2-Isopropoxyethyl)sulfonyl]amino}butanoic acid | C9H19NO5S

4-{[(2-Isopropoxyethyl)sulfonyl]amino}butanoic acid

  • Molecular FormulaC9H19NO5S
  • Average mass253.316 Da
  • Monoisotopic mass253.098389 Da
  • ChemSpider ID36083295

More details:

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

4-{[(2-Isopropoxyethyl)sulfonyl]amino}butanoic acid [ACD/IUPAC Name]
4-{[(2-Isopropoxyethyl)sulfonyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{[(2-isopropoxyéthyl)sulfonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[2-(1-methylethoxy)ethyl]sulfonyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 419.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 207.3±31.5 °C
Index of Refraction: 1.484
Molar Refractivity: 59.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 208.3±3.0 cm3

Click to predict properties on the Chemicalize site


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