ChemSpider 2D Image | 3-Hydroxy-2-[(stearoylamino)methyl]propyl stearate | C40H79NO4

3-Hydroxy-2-[(stearoylamino)methyl]propyl stearate

  • Molecular FormulaC40H79NO4
  • Average mass638.060 Da
  • Monoisotopic mass637.600891 Da
  • ChemSpider ID23349580

More details:

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

3-Hydroxy-2-[(stearoylamino)methyl]propyl stearate [ACD/IUPAC Name]
3-Hydroxy-2-[(stearoylamino)methyl]propylstearat [German] [ACD/IUPAC Name]
60209-70-3 [RN]
N-(1-HYDROXYMETHYL-1-METHYL-2-STEAROYLOXYETHYL)STEARAMIDE
Octadecanoic acid, 3-hydroxy-2-[[(1-oxooctadecyl)amino]methyl]propyl ester [ACD/Index Name]
Stéarate de 3-hydroxy-2-[(stearoylamino)méthyl]propyle [French] [ACD/IUPAC Name]
132435-05-3 [RN]
3-HYDROXY-2-(OCTADECANAMIDOMETHYL)PROPYL OCTADECANOATE
Octadecanoic acid, 2-(hydroxymethyl)-3-[(1-oxooctadecyl)amino]propyl ester

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

IQD89E4QZ9 [DBID]
UNII:IQD89E4QZ9 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 718.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 388.3±30.1 °C
Index of Refraction: 1.470
Molar Refractivity: 194.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.99
ACD/LogD (pH 5.5): 14.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 76 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 696.1±3.0 cm3

Click to predict properties on the Chemicalize site


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