ChemSpider 2D Image | (4S)-5-Hexyne-1,4-diamine | C6H12N2

(4S)-5-Hexyne-1,4-diamine

  • Molecular FormulaC6H12N2
  • Average mass112.173 Da
  • Monoisotopic mass112.100044 Da
  • ChemSpider ID32982158
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-5-Hexin-1,4-diamin [German] [ACD/IUPAC Name]
(4S)-5-Hexyne-1,4-diamine [ACD/IUPAC Name]
(4S)-5-Hexyne-1,4-diamine [French] [ACD/IUPAC Name]
5-Hexyne-1,4-diamine, (4S)- [ACD/Index Name]
85733-84-2 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 204.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 89.5±22.6 °C
Index of Refraction: 1.495
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -4.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 119.1±3.0 cm3

Click to predict properties on the Chemicalize site






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