ChemSpider 2D Image | MFCD02259300 | C20H43NO2

MFCD02259300

  • Molecular FormulaC20H43NO2
  • Average mass329.561 Da
  • Monoisotopic mass329.329376 Da
  • ChemSpider ID49072748

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(Dimethylamino)-1,3-octadecandiol [German] [ACD/IUPAC Name]
(2S,3R)-2-(Dimethylamino)-1,3-octadecanediol [ACD/IUPAC Name]
(2S,3R)-2-(Diméthylamino)-1,3-octadécanediol [French] [ACD/IUPAC Name]
(2S,3R)-2-(Dimethylamino)octadecane-1,3-diol
1,3-Octadecanediol, 2-(dimethylamino)-, (2S,3R)- [ACD/Index Name]
17267-46-8 [RN]
2S-(dimethylamino)-1,3R-octadecanediol
Dimethylsphinganine (d18:0)
MFCD02259300
N,N-dimethyl Sphinganine (d18:0)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 447.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.5±6.0 kJ/mol
Flash Point: 184.6±21.8 °C
Index of Refraction: 1.473
Molar Refractivity: 101.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 159.80
ACD/KOC (pH 5.5): 250.90
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 7972.63
ACD/KOC (pH 7.4): 12517.95
Polar Surface Area: 44 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

Click to predict properties on the Chemicalize site


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