ChemSpider 2D Image | MYRISTYL ASPARTIC ACID | C18H35NO4

MYRISTYL ASPARTIC ACID

  • Molecular FormulaC18H35NO4
  • Average mass329.475 Da
  • Monoisotopic mass329.256622 Da
  • ChemSpider ID52084809

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

70051-97-7 [RN]
Acide N-tétradécyl-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-tetradecyl- [ACD/Index Name]
MYRISTYL ASPARTIC ACID
N-Tetradecyl-L-asparaginsäure [German] [ACD/IUPAC Name]
N-Tetradecyl-L-aspartic acid [ACD/IUPAC Name]
(2S)-2-(tetradecylamino)butanedioic acid
tetradecyl aspartic acid

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

OKW314E976 [DBID]
UNII:OKW314E976 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 443.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 222.1±25.9 °C
Index of Refraction: 1.480
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 8.38
ACD/KOC (pH 5.5): 17.05
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 6.87
ACD/KOC (pH 7.4): 13.98
Polar Surface Area: 87 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 324.1±3.0 cm3

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