ChemSpider 2D Image | 3-Anilino-2-hydroxypropyl heptadecanoate | C26H45NO3

3-Anilino-2-hydroxypropyl heptadecanoate

  • Molecular FormulaC26H45NO3
  • Average mass419.640 Da
  • Monoisotopic mass419.339935 Da
  • ChemSpider ID23253456

More details:

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

2-hydroxy-3-(phenylamino)propyl heptadecanoate
3-Anilino-2-hydroxypropyl heptadecanoate [ACD/IUPAC Name]
3-Anilino-2-hydroxypropyl-heptadecanoat [German] [ACD/IUPAC Name]
Heptadécanoate de 3-anilino-2-hydroxypropyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, 2-hydroxy-3-(phenylamino)propyl ester [ACD/Index Name]
361144-78-7 [RN]
heptadecanoic acid 2-hydroxy-3-(phenylamino)propyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 558.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.6±25.9 °C
Index of Refraction: 1.512
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 8.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1724385.13
ACD/LogD (pH 7.4): 8.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1772108.63
Polar Surface Area: 59 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 423.9±3.0 cm3

Click to predict properties on the Chemicalize site


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