ChemSpider 2D Image | (E)-isoterbinafine | C21H25N

(E)-isoterbinafine

  • Molecular FormulaC21H25N
  • Average mass291.430 Da
  • Monoisotopic mass291.198700 Da
  • ChemSpider ID32699908

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N,6,6-Trimethyl-N-(2-naphthylmethyl)-2-hepten-4-in-1-amin [German] [ACD/IUPAC Name]
(2E)-N,6,6-Trimethyl-N-(2-naphthylmethyl)-2-hepten-4-yn-1-amine [ACD/IUPAC Name]
(2E)-N,6,6-Triméthyl-N-(2-naphtylméthyl)-2-heptén-4-yn-1-amine [French] [ACD/IUPAC Name]
(E)-isoterbinafine
2-Naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-methyl- [ACD/Index Name]
ISOTERBINAFINE, (E)-
(e)-N-(6,6-dimethylhept-2-en-4-ynyl)-N-methylnaphth-2-ylmethylamine
187540-01-8 [RN]
IWW3GBE13M
UNII:IWW3GBE13M
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 417.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 183.7±22.3 °C
Index of Refraction: 1.586
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 687.25
ACD/KOC (pH 5.5): 1400.66
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 15557.71
ACD/KOC (pH 7.4): 31707.57
Polar Surface Area: 3 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 289.1±3.0 cm3

Click to predict properties on the Chemicalize site


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