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Search term: YDBIGTPIWPFGJX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [3-{[3-(Dimethylamino)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl](1-naphthyl)methanone | C29H28N2O2

[3-{[3-(Dimethylamino)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl](1-naphthyl)methanone

  • Molecular FormulaC29H28N2O2
  • Average mass436.545 Da
  • Monoisotopic mass436.215088 Da
  • ChemSpider ID28528596

More details:

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

[3-{[3-(Dimethylamino)phenoxy]methyl}-3,4-dihydro-2(1H)-isochinolinyl](1-naphthyl)methanon [German] [ACD/IUPAC Name]
[3-{[3-(Diméthylamino)phénoxy]méthyl}-3,4-dihydro-2(1H)-isoquinoléinyl](1-naphtyl)méthanone [French] [ACD/IUPAC Name]
[3-{[3-(Dimethylamino)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl](1-naphthyl)methanone [ACD/IUPAC Name]
Methanone, [3-[[3-(dimethylamino)phenoxy]methyl]-3,4-dihydro-2(1H)-isoquinolinyl]-1-naphthalenyl- [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: 633.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.9±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10506.79
ACD/KOC (pH 5.5): 25422.02
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11840.19
ACD/KOC (pH 7.4): 28648.28
Polar Surface Area: 33 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 365.9±3.0 cm3

Click to predict properties on the Chemicalize site


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