ChemSpider 2D Image | (3S)-3-[Amino(~2~H_2_)methyl]-5-methyl(2,2-~2~H_2_)hexanoic acid | C8H13D4NO2

(3S)-3-[Amino(2H2)methyl]-5-methyl(2,2-2H2)hexanoic acid

  • Molecular FormulaC8H13D4NO2
  • Average mass163.251 Da
  • Monoisotopic mass163.151031 Da
  • ChemSpider ID24533661

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-3-[Amino(2H2)methyl]-5-methyl(2,2-2H2)hexanoic acid [ACD/IUPAC Name]
(3S)-3-[Amino(2H2)methyl]-5-methyl(2,2-2H2)hexansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-[amino(2H2)méthyl]-5-méthyl(2,2-2H2)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic-2,2-d2 acid, 3-(aminomethyl-d2)-5-methyl-, (3S)- [ACD/Index Name]
(S)-(+)-Pregabalin-d4 (aminomethyl-d2; hexanoic-2,2-d2 acid)
(S)-3-(Aminomethyl)-5-methylhexanoic acid
1276197-54-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 274.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.4±6.0 kJ/mol
Flash Point: 119.5±22.6 °C
Index of Refraction: 1.465
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 159.6±3.0 cm3

Click to predict properties on the Chemicalize site


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