ChemSpider 2D Image | N-Oleoyl Alanine | C21H39NO3

N-Oleoyl Alanine

  • Molecular FormulaC21H39NO3
  • Average mass353.539 Da
  • Monoisotopic mass353.292999 Da
  • ChemSpider ID23283780

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

745733-78-2 [RN]
L-Alanine, N-[(9Z)-1-oxo-9-octadecen-1-yl]- [ACD/Index Name]
N-[(9Z)-9-Octadecenoyl]-L-alanin [German] [ACD/IUPAC Name]
N-[(9Z)-9-Octadecenoyl]-L-alanine [ACD/IUPAC Name]
N-[(9Z)-9-Octadecenoyl]-L-alanine [French] [ACD/IUPAC Name]
N-[(9Z)-octadec-9-enoyl]-L-alanine
N-Oleoyl Alanine
73775-50-5 [RN]
N-(9Z-octadecenoyl)-alanine
N-[(9Z)-1-oxo-9-octadecen-1-yl]-L-alanine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 531.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 275.4±28.2 °C
Index of Refraction: 1.477
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 345.67
ACD/KOC (pH 5.5): 562.00
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 12.82
ACD/KOC (pH 7.4): 20.84
Polar Surface Area: 66 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 369.7±3.0 cm3

Click to predict properties on the Chemicalize site


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