(8alpha,9R)-6'-Methoxycinchonan-9-ol | CAS No. 130-95-0

(8alpha,9R)-6'-Methoxycinchonan-9-ol

Basic Information

CAS Number

130-95-0

Molecular Formula

C20H24N2O2

Molecular Weight

324.42 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

176-177 ºC

Boiling Point

462.75°C (rough estimate)

Flash Point

253.7℃

Solubility

H2O: soluble

Refractive Index

1.6250 (estimate)

Vapor Pressure

1.54X10-10 mm Hg at 25 °C (est)

Specific Rotation

-172 º (c=1, EtOH)

COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1

InChI

InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1

InChIKey

LOUPRKONTZGTKE-WZBLMQSHSA-N

LogP

3.1732000000000014

pKa

8.52(at 25℃)

Topological Polar Surface Area

45.59 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

457

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H315H315
H317H317
H319H319
H335H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H317 May cause an allergic skin reaction
Sensitization, Skin
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Storage Conditions

2-8℃

Synonyms & References

English

  • Quinine
  • (6-METHOXY-4-QUINOLYL)(5-VINYL-1-AZABICYCLO[2.2.2]OCT-2-YL)METHANOL
  • 6-METHOXYCINCHONINE
  • A-(6-METHOXY-4-QUINOLYL)-5-VINYL-2-QUINUCLIDINE-METHANOL
  • (-)-QUININE
  • TIMTEC-BB SBB006500
  • (8-alpha,9r)-6'-methoxycinchonan-9-ol
  • (8S,9R)-6'-Methoxycinchonan-9-ol
  • (8S,9R)-Quinine
  • 6'-methoxy-,(8.alpha.,9R)-Cinchonan-9-ol
  • 6'-methoxy-,(8-alpha,9r)-cinchonan-9-o
  • 6'-methoxy-,(8alpha,9r)-cinchonan-9-o
  • 6'-methoxy-,(8alpha,9theta)-cinchonan-9-o
  • 6'-Methoxycinchonidine
  • alpha-(6-methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethano
  • alpha-(6-Methoxy-4-quinoyl)-5-vinyl-2-quinclidinemethanol
  • Chinin
  • chinine
  • Cinchonan-9-ol, 6'-methoxy-, (8a,9R)-
  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
  • (R)-[(2S,4S,5R)-1-Aza-5-vinylbicyclo[2.2.2]-oct-2-yl](6-methoxyquinolin-4-yl)methanol
  • QUININE(RG)
  • 2-Quinuclidinemethanol, α-(6-methoxy-4-quinolyl)-5-vinyl-
  • 6'-Methoxycinchonine
  • Cinchonan-9-ol, 6'-methoxy-, (8α,9R)-
  • NSC 192949
  • Quinine base
  • α-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol
  • [ "" ]
  • Kinin
  • Quinie

MDL Number

MFCD00198096

Customs Code

29392110

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