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

ChemSpider 2D Image | (E)-N-[4-(Adamantan-1-yl)phenyl]-1-(4-bromo-2-thienyl)methanimine | C21H22BrNS

(E)-N-[4-(Adamantan-1-yl)phenyl]-1-(4-bromo-2-thienyl)methanimine

  • Molecular FormulaC21H22BrNS
  • Average mass400.375 Da
  • Monoisotopic mass399.065613 Da
  • ChemSpider ID23009286
  • 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-(4-brom-2-thienyl)methanimin [German] [ACD/IUPAC Name]
(E)-N-[4-(Adamantan-1-yl)phenyl]-1-(4-bromo-2-thienyl)methanimine [ACD/IUPAC Name]
(E)-N-[4-(Adamantan-1-yl)phényl]-1-(4-bromo-2-thiényl)méthanimine [French] [ACD/IUPAC Name]
Benzenamine, N-[(1E)-(4-bromo-2-thienyl)methylene]-4-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-[4-(1-ADAMANTYL)PHENYL]-1-(4-BROMOTHIOPHEN-2-YL)METHANIMINE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 507.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 260.6±28.7 °C
Index of Refraction: 1.727
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 52647.57
ACD/KOC (pH 5.5): 83288.89
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 52882.84
ACD/KOC (pH 7.4): 83661.09
Polar Surface Area: 41 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 265.2±7.0 cm3

Click to predict properties on the Chemicalize site






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