ChemSpider 2D Image | (4aR,9bR)-2,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole | C13H18N2

(4aR,9bR)-2,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

  • Molecular FormulaC13H18N2
  • Average mass202.295 Da
  • Monoisotopic mass202.147003 Da
  • ChemSpider ID22870869
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4aR,9bR)-2,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indol [German] [ACD/IUPAC Name]
(4aR,9bR)-2,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole [ACD/IUPAC Name]
(4aR,9bR)-2,8-Diméthyl-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-2,8-dimethyl-, (4aR,9bR)- [ACD/Index Name]
(4aR,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
(4aR,9bR)-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole
(4aS,9bS)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
17411-19-7 [RN]
81800-07-9 [RN]
Benzoic acid, 4-(aminomethyl)- (9CI)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 305.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 128.8±18.9 °C
Index of Refraction: 1.554
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.76
Polar Surface Area: 15 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 193.9±3.0 cm3

Click to predict properties on the Chemicalize site






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