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Search term: JOQXFXDINIKPSH (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2R,3E,5R)-5-Amino-2,4-dimethyl-3-hexenal | C8H15NO

(2R,3E,5R)-5-Amino-2,4-dimethyl-3-hexenal

  • Molecular FormulaC8H15NO
  • Average mass141.211 Da
  • Monoisotopic mass141.115356 Da
  • ChemSpider ID25057298
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3E,5R)-5-Amino-2,4-dimethyl-3-hexenal [ACD/IUPAC Name]
(2R,3E,5R)-5-Amino-2,4-dimethyl-3-hexenal [German] [ACD/IUPAC Name]
(2R,3E,5R)-5-Amino-2,4-diméthyl-3-hexénal [French] [ACD/IUPAC Name]
(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal
3-Hexenal, 5-amino-2,4-dimethyl-, (2R,3E,5R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 228.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 91.9±24.0 °C
Index of Refraction: 1.460
Molar Refractivity: 42.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 43 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 155.8±3.0 cm3

Click to predict properties on the Chemicalize site






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