Found 6 results

Search term: DOMXUEMWDBAQBQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2E)-6,6-Dimethyl-N-(~2~H_3_)methyl-N-(1-naphthylmethyl)-2-hepten-4-yn-1-amine | C21H22D3N

(2E)-6,6-Dimethyl-N-(2H3)methyl-N-(1-naphthylmethyl)-2-hepten-4-yn-1-amine

  • Molecular FormulaC21H22D3N
  • Average mass294.448 Da
  • Monoisotopic mass294.217529 Da
  • ChemSpider ID60498115
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(2E)-6,6-Dimethyl-N-(2H3)methyl-N-(1-naphthylmethyl)-2-hepten-4-in-1-amin [German] [ACD/IUPAC Name]
(2E)-6,6-Dimethyl-N-(2H3)methyl-N-(1-naphthylmethyl)-2-hepten-4-yn-1-amine [ACD/IUPAC Name]
(2E)-6,6-Diméthyl-N-(2H3)méthyl-N-(1-naphtylméthyl)-2-heptén-4-yn-1-amine [French] [ACD/IUPAC Name]
1-Naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-(methyl-d3)- [ACD/Index Name]
1133210-36-2 [RN]
Terbinafine-d3 (N-methyl-d3) HCl

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

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): 4.58
ACD/BCF (pH 5.5): 816.35
ACD/KOC (pH 5.5): 1663.77
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 16327.07
ACD/KOC (pH 7.4): 33275.59
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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