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Search term: HYZGNFIJTUJTBY-PRWKNARSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,4S)-7-Chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydro-3-quinolinol | C21H23ClN2O

(3R,4S)-7-Chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydro-3-quinolinol

  • Molecular FormulaC21H23ClN2O
  • Average mass354.873 Da
  • Monoisotopic mass354.149902 Da
  • ChemSpider ID26386141

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-7-Chlor-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydro-3-chinolinol [German] [ACD/IUPAC Name]
(3R,4S)-7-Chloro-6-(1H-indol-7-yl)-2,2,4,8-tétraméthyl-1,2,3,4-tétrahydro-3-quinoléinol [French] [ACD/IUPAC Name]
(3R,4S)-7-Chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydro-3-quinolinol [ACD/IUPAC Name]
3-Quinolinol, 7-chloro-1,2,3,4-tetrahydro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-, (3R,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.1±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7070.65
ACD/KOC (pH 5.5): 19629.78
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7307.46
ACD/KOC (pH 7.4): 20287.21
Polar Surface Area: 48 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 293.6±3.0 cm3

Click to predict properties on the Chemicalize site


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