ChemSpider 2D Image | Methyl N-hexadecyl-beta-alaninate | C20H41NO2

Methyl N-hexadecyl-β-alaninate

  • Molecular FormulaC20H41NO2
  • Average mass327.545 Da
  • Monoisotopic mass327.313721 Da
  • ChemSpider ID21329544

More details:

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

1040687-60-2 [RN]
Methyl 3-(hexadecylamino)propanoate
Methyl N-hexadecyl-β-alaninate [ACD/IUPAC Name]
Methyl-N-hexadecyl-β-alaninat [German] [ACD/IUPAC Name]
N-Hexadécyl-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-hexadecyl-, methyl ester [ACD/Index Name]
methyl N-hexadecyl-b-alaninate
methyl3-(hexadecylamino)propanoate
METHYL-3-(HEXADECYLAMINO)PROPANOATE

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

MFCD10687238 [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: 415.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.3±24.0 °C
Index of Refraction: 1.452
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 402.80
ACD/KOC (pH 5.5): 366.57
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 8745.58
ACD/KOC (pH 7.4): 7959.06
Polar Surface Area: 38 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 371.0±3.0 cm3

Click to predict properties on the Chemicalize site


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