Found 1 result

Search term: RVNWJSHHOWQTNT-SYWQUHTRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,4S)-5-[(E)-(Ethoxyimino)methyl]-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydro-3-quinolinol | C24H29N3O2

(3R,4S)-5-[(E)-(Ethoxyimino)methyl]-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydro-3-quinolinol

  • Molecular FormulaC24H29N3O2
  • Average mass391.506 Da
  • Monoisotopic mass391.225983 Da
  • ChemSpider ID26385250

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-5-[(E)-(Ethoxyimino)methyl]-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydro-3-chinolinol [German] [ACD/IUPAC Name]
(3R,4S)-5-[(E)-(Éthoxyimino)méthyl]-6-(1H-indol-7-yl)-2,2,4,8-tétraméthyl-1,2,3,4-tétrahydro-3-quinoléinol [French] [ACD/IUPAC Name]
(3R,4S)-5-[(E)-(Ethoxyimino)methyl]-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydro-3-quinolinol [ACD/IUPAC Name]
5-Quinolinecarboxaldehyde, 1,2,3,4-tetrahydro-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-, O-ethyloxime, (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: 554.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.9±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3289.55
ACD/KOC (pH 5.5): 11151.47
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3615.80
ACD/KOC (pH 7.4): 12257.46
Polar Surface Area: 70 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 323.6±7.0 cm3

Click to predict properties on the Chemicalize site


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