ChemSpider 2D Image | 2-[(2S,4S)-4-(Dimethylamino)-6-nitro-1,2,3,4-tetrahydro-2-quinolinyl]-2-methyl-1-propanol | C15H23N3O3

2-[(2S,4S)-4-(Dimethylamino)-6-nitro-1,2,3,4-tetrahydro-2-quinolinyl]-2-methyl-1-propanol

  • Molecular FormulaC15H23N3O3
  • Average mass293.361 Da
  • Monoisotopic mass293.173950 Da
  • ChemSpider ID28484571

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(2S,4S)-4-(Dimethylamino)-6-nitro-1,2,3,4-tetrahydro-2-chinolinyl]-2-methyl-1-propanol [German] [ACD/IUPAC Name]
2-[(2S,4S)-4-(Diméthylamino)-6-nitro-1,2,3,4-tétrahydro-2-quinoléinyl]-2-méthyl-1-propanol [French] [ACD/IUPAC Name]
2-[(2S,4S)-4-(Dimethylamino)-6-nitro-1,2,3,4-tetrahydro-2-quinolinyl]-2-methyl-1-propanol [ACD/IUPAC Name]
2-Quinolineethanol, 4-(dimethylamino)-1,2,3,4-tetrahydro-β,β-dimethyl-6-nitro-, (2S,4S)- [ACD/Index Name]
404920-28-1 [RN]
2-(4-(Dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropan-1-ol
S 40503
S-40503 [Wiki]

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

TBF49WHM83 [DBID]
UNII:TBF49WHM83 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 427.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.3±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 66.21
Polar Surface Area: 81 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 243.3±5.0 cm3

Click to predict properties on the Chemicalize site


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