ChemSpider 2D Image | N,N-Dimethyl-L-threonine | C6H13NO3

N,N-Dimethyl-L-threonine

  • Molecular FormulaC6H13NO3
  • Average mass147.172 Da
  • Monoisotopic mass147.089539 Da
  • ChemSpider ID32991158
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

L-Threonine, N,N-dimethyl- [ACD/Index Name]
N,N-Dimethyl-L-threonin [German] [ACD/IUPAC Name]
N,N-Dimethyl-L-threonine [ACD/IUPAC Name]
N,N-Diméthyl-L-thréonine [French] [ACD/IUPAC Name]
138406-48-1 [RN]
2812-36-4 [RN]
N,N-Dimethylthreonine [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 265.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.5±6.0 kJ/mol
Flash Point: 114.5±24.6 °C
Index of Refraction: 1.485
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 127.7±3.0 cm3

Click to predict properties on the Chemicalize site






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