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Search term: AUWWQOIHZVXJBJ-KKMKTNMSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (E)-N-[4-(Adamantan-1-yl)phenyl]-1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanimine | C22H23ClF3N3

(E)-N-[4-(Adamantan-1-yl)phenyl]-1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanimine

  • Molecular FormulaC22H23ClF3N3
  • Average mass421.886 Da
  • Monoisotopic mass421.153259 Da
  • ChemSpider ID23009280

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-[4-(Adamantan-1-yl)phenyl]-1-[5-chlor-1-methyl-3-(trifluormethyl)-1H-pyrazol-4-yl]methanimin [German] [ACD/IUPAC Name]
(E)-N-[4-(Adamantan-1-yl)phenyl]-1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanimine [ACD/IUPAC Name]
(E)-N-[4-(Adamantan-1-yl)phényl]-1-[5-chloro-1-méthyl-3-(trifluorométhyl)-1H-pyrazol-4-yl]méthanimine [French] [ACD/IUPAC Name]
Benzenamine, N-[(1E)-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylene]-4-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-[4-(1-ADAMANTYL)PHENYL]-1-[5-CHLORO-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL]METHANIMINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 508.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 261.1±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58036.59
ACD/KOC (pH 5.5): 89395.45
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58094.04
ACD/KOC (pH 7.4): 89483.93
Polar Surface Area: 30 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 292.1±7.0 cm3

Click to predict properties on the Chemicalize site


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