ChemSpider 2D Image | (3S)-3-[(Dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one | C16H20N2O

(3S)-3-[(Dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one

  • Molecular FormulaC16H20N2O
  • Average mass256.343 Da
  • Monoisotopic mass256.157562 Da
  • ChemSpider ID32797652

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(Dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-on [German] [ACD/IUPAC Name]
(3S)-3-[(Dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one [ACD/IUPAC Name]
(3S)-3-[(Diméthylamino)méthyl]-9-méthyl-1,2,3,9-tétrahydro-4H-carbazol-4-one [French] [ACD/IUPAC Name]
4H-Carbazol-4-one, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-, (3S)- [ACD/Index Name]
153139-56-1 [RN]
3((DIMETHYLAMINO)METHYL)-1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOL-4-ONE
UNII-21E15FJP4E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 416.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.8±23.2 °C
Index of Refraction: 1.612
Molar Refractivity: 76.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 21.71
Polar Surface Area: 25 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 220.9±7.0 cm3

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