ChemSpider 2D Image | (3R)-3-(Aminomethyl)-5-(~2~H_3_)methyl(3,4,4,5,6,6,6-~2~H_7_)hexanoic acid | C8H7D10NO2

(3R)-3-(Aminomethyl)-5-(2H3)methyl(3,4,4,5,6,6,6-2H7)hexanoic acid

  • Molecular FormulaC8H7D10NO2
  • Average mass169.288 Da
  • Monoisotopic mass169.188690 Da
  • ChemSpider ID78076129

  • 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

(3R)-3-(Aminomethyl)-5-(2H3)methyl(3,4,4,5,6,6,6-2H7)hexanoic acid [ACD/IUPAC Name]
(3R)-3-(Aminomethyl)-5-(2H3)methyl(3,4,4,5,6,6,6-2H7)hexansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-(aminométhyl)-5-(2H3)méthyl(3,4,4,5,6,6,6-2H7)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic-3,4,4,5,6,6,6-d7 acid, 3-(aminomethyl)-5-(methyl-d3)-, (3R)- [ACD/Index Name]

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

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