ChemSpider 2D Image | 2-{(2,2-Diethoxyethyl)[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}octanoic acid | C21H36N2O6S

2-{(2,2-Diethoxyethyl)[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}octanoic acid

  • Molecular FormulaC21H36N2O6S
  • Average mass444.585 Da
  • Monoisotopic mass444.229401 Da
  • ChemSpider ID102866654

More details:

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

2-{(2,2-Diethoxyethyl)[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}octanoic acid [ACD/IUPAC Name]
2-{(2,2-Diethoxyethyl)[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}octansäure [German] [ACD/IUPAC Name]
4-Thiazoleacetic acid, 2-[(1-carboxyheptyl)(2,2-diethoxyethyl)amino]-, α-ethyl ester [ACD/Index Name]
Acide 2-{(2,2-diéthoxyéthyl)[4-(2-éthoxy-2-oxoéthyl)-1,3-thiazol-2-yl]amino}octanoïque [French] [ACD/IUPAC 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: 549.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.9±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 118.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 56.82
ACD/KOC (pH 5.5): 209.90
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 4.80
Polar Surface Area: 126 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

Click to predict properties on the Chemicalize site


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