ChemSpider 2D Image | DIMETHYL ASPARTIC ACID | C6H11NO4

DIMETHYL ASPARTIC ACID

  • Molecular FormulaC6H11NO4
  • Average mass161.156 Da
  • Monoisotopic mass161.068802 Da
  • ChemSpider ID29367822

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-Methoxy-3-(methylamino)-4-oxobutanoic acid [ACD/IUPAC Name]
(3S)-4-Methoxy-3-(methylamino)-4-oxobutansäure [German] [ACD/IUPAC Name]
1115-22-6 [RN]
Acide (3S)-4-méthoxy-3-(méthylamino)-4-oxobutanoïque [French] [ACD/IUPAC Name]
DIMETHYL ASPARTIC ACID
L-Aspartic acid, N-methyl-, 1-methyl ester [ACD/Index Name]
2-(dimethylamino)butanedioic acid
DIMETHYLASPARTICACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 295.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.8±6.0 kJ/mol
Flash Point: 132.2±25.9 °C
Index of Refraction: 1.457
Molar Refractivity: 36.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 134.9±3.0 cm3

Click to predict properties on the Chemicalize site


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