ChemSpider 2D Image | (2S,3R)-3-Hydroperoxy-4-methyl-4-penten-2-aminium | C6H14NO2

(2S,3R)-3-Hydroperoxy-4-methyl-4-penten-2-aminium

  • Molecular FormulaC6H14NO2
  • Average mass132.180 Da
  • Monoisotopic mass132.101898 Da
  • ChemSpider ID77422056

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-Hydroperoxy-4-methyl-4-penten-2-aminium [German] [ACD/IUPAC Name]
(2S,3R)-3-Hydroperoxy-4-methyl-4-penten-2-aminium [ACD/IUPAC Name]
(2S,3R)-3-Hydroperoxy-4-méthyl-4-pentén-2-aminium [French] [ACD/IUPAC Name]
Hydroperoxide, (1R)-1-[(1S)-1-aminoethyl]-2-methyl-2-propen-1-yl, conjugate acid [ACD/Index Name]

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

Density:
Boiling Point: 224.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.6±6.0 kJ/mol
Flash Point: 89.4±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.64
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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