ChemSpider 2D Image | N-(12-Hydroxystearoyl)-beta-alanine | C21H41NO4

N-(12-Hydroxystearoyl)-β-alanine

  • Molecular FormulaC21H41NO4
  • Average mass371.555 Da
  • Monoisotopic mass371.303558 Da
  • ChemSpider ID21513266

More details:

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

N-(12-Hydroxyoctadecanoyl)-β-alanin [German] [ACD/IUPAC Name]
N-(12-Hydroxyoctadecanoyl)-β-alanine [ACD/IUPAC Name]
N-(12-Hydroxyoctadecanoyl)-β-alanine [French] [ACD/IUPAC Name]
N-(12-Hydroxystearoyl)-β-alanine
β-Alanine, N-(12-hydroxy-1-oxooctadecyl)- [ACD/Index Name]
MFCD07783830 [MDL number]

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 565.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 295.7±23.2 °C
Index of Refraction: 1.479
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 71.57
ACD/KOC (pH 5.5): 311.58
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 5.26
Polar Surface Area: 87 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 373.6±3.0 cm3

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