ChemSpider 2D Image | (2Z)-N-[3-(3,3'-Bithiophen-5-ylmethoxy)benzyl]-N-ethyl-6,6-dimethyl-2-hepten-4-yn-1-amine | C27H31NOS2

(2Z)-N-[3-(3,3'-Bithiophen-5-ylmethoxy)benzyl]-N-ethyl-6,6-dimethyl-2-hepten-4-yn-1-amine

  • Molecular FormulaC27H31NOS2
  • Average mass449.671 Da
  • Monoisotopic mass449.184692 Da
  • ChemSpider ID113574162

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-N-[3-(3,3'-Bithiophen-5-ylmethoxy)benzyl]-N-ethyl-6,6-dimethyl-2-hepten-4-in-1-amin [German] [ACD/IUPAC Name]
(2Z)-N-[3-(3,3'-Bithiophen-5-ylmethoxy)benzyl]-N-ethyl-6,6-dimethyl-2-hepten-4-yn-1-amine [ACD/IUPAC Name]
(2Z)-N-[3-(3,3'-Bithiophén-5-ylméthoxy)benzyl]-N-éthyl-6,6-diméthyl-2-heptén-4-yn-1-amine [French] [ACD/IUPAC Name]
Benzenemethanamine, 3-([3,3'-bithiophen]-5-ylmethoxy)-N-[(2Z)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-ethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.8±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 4261.11
ACD/KOC (pH 5.5): 5046.58
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 102320.70
ACD/KOC (pH 7.4): 121182.08
Polar Surface Area: 69 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 400.5±3.0 cm3

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