Found 6 results

Search term: KDOLICPJGKZRKU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4aS,9bS)-2-Methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole | C12H16N2

(4aS,9bS)-2-Methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

  • Molecular FormulaC12H16N2
  • Average mass188.269 Da
  • Monoisotopic mass188.131348 Da
  • ChemSpider ID65014863

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,9bS)-2-Methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indol [German] [ACD/IUPAC Name]
(4aS,9bS)-2-Methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole [ACD/IUPAC Name]
(4aS,9bS)-2-Méthyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole [French] [ACD/IUPAC Name]
1H-Pyrido[4,3-b]indole, 2,3,4,4a,5,9b-hexahydro-2-methyl-, (4aS,9bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 291.8±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 128.7±18.0 °C
Index of Refraction: 1.559
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.21
Polar Surface Area: 15 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 177.6±3.0 cm3

Click to predict properties on the Chemicalize site


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