ChemSpider 2D Image | (3alpha,8S,9R)-Cinchonan-9-ol | C19H22N2O

(3α,8S,9R)-Cinchonan-9-ol

  • Molecular FormulaC19H22N2O
  • Average mass294.391 Da
  • Monoisotopic mass294.173218 Da
  • ChemSpider ID26606447

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3α,8S,9R)-Cinchonan-9-ol [German] [ACD/IUPAC Name]
(3α,8S,9R)-Cinchonan-9-ol [ACD/IUPAC Name]
(3α,8S,9R)-Cinchonan-9-ol [French] [ACD/IUPAC Name]
Cinchonan-9-ol, (3α,8S,9R)- [ACD/Index Name]
(1R)-quinolin-4-yl((2S)-5-vinylquinuclidin-2-yl)methanol
Cinchonan-9-ol, (8α,9R)- [ACD/Index Name]
Cinchonidine [Wiki]
MFCD00006783 [MDL number]

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

  • Gas Chromatography

    • Retention Index (Kovats):

      2600 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 6 ft; Column type: Packed; CAS no: 485712; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb W; Data type: Kovats RI; Authors: McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 13, 1979, 71-79.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      2598 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Other; CAS no: 485712; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 220, 1981, 195-252.) NIST Spectra nist ri

    • Retention Index (Linear):

      2580 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 1.8 m; Column type: Packed; Heat rate: 8 K/min; Start T: 130 C; End T: 290 C; End time: 8 min; Start time: 2 min; CAS no: 485712; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb W; Data type: Linear RI; Authors: Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 19, 1981, 219-226.) NIST Spectra nist ri

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

Density: 1.2±0.1 g/cm3
Boiling Point: 464.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.7±24.6 °C
Index of Refraction: 1.652
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 11.88
Polar Surface Area: 36 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 244.5±5.0 cm3

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