ChemSpider 2D Image | (2S,5E)-6-Chloro-5-hexen-3-yn-2-amine | C6H8ClN

(2S,5E)-6-Chloro-5-hexen-3-yn-2-amine

  • Molecular FormulaC6H8ClN
  • Average mass129.587 Da
  • Monoisotopic mass129.034531 Da
  • ChemSpider ID32973103

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S,5E)-6-Chlor-5-hexen-3-in-2-amin [German] [ACD/IUPAC Name]
(2S,5E)-6-Chloro-5-hexen-3-yn-2-amine [ACD/IUPAC Name]
(2S,5E)-6-Chloro-5-hexén-3-yn-2-amine [French] [ACD/IUPAC Name]
5-Hexen-3-yn-2-amine, 6-chloro-, (2S,5E)- [ACD/Index Name]
169208-51-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 174.2±25.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.1±3.0 kJ/mol
Flash Point: 59.1±23.2 °C
Index of Refraction: 1.516
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 32.40
Polar Surface Area: 26 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 119.9±3.0 cm3

Click to predict properties on the Chemicalize site


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