(8alpha,9S)-Cinchonan-9-ol | CAS No. 118-10-5

(8alpha,9S)-Cinchonan-9-ol

Basic Information

CAS Number

118-10-5

Molecular Formula

C19H22N2O

Molecular Weight

294.4 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

256-266 ºC

Boiling Point

464.5°C at 760 mmHg

Flash Point

234.7 °C

Solubility

0.25g/l

Refractive Index

223 ° (C=0.5, EtOH)

Specific Rotation

224 º (c=0.5, alcohol)

[C@H]1(N2C[C@H](C=C)[C@H](C1)CC2)[C@H](C3=CC=NC4=C3C=CC=C4)O

InChI

InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19-/m0/s1

InChIKey

KMPWYEUPVWOPIM-LSOMNZGLSA-N

LogP

3.1646000000000023

pKa

5.85, 9.92(at 25℃)

Topological Polar Surface Area

36.36 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

412

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H332H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(b) Class 6.1(b)

Storage Conditions

2-8℃

Toxicity

LD50 i.p. in rats: 152 mg/kg (Johnson, Poe)

Synonyms & References

English

  • (+)-Quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol
  • D-CINCHONINE
  • (+)-CINCHONINE
  • CINCHONINE
  • CINCHONAN-9-OL,(9S)-
  • (+)-cinconine
  • (8r,9s)-cinchonine
  • (9s)-cinchonan-9-o
  • (9S)-Cinchonan-9-ol
  • 4-quinolyl(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanol
  • (1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol
  • chinchonine
  • cinchonidine
  • Cinchonin
  • homoquinidine
  • [ "" ]
  • NSC 6176
  • CINCHONINE(P)
  • CINCHONINE(RG)
  • Cinchonine,99%
  • Cinchonine dihydrochloride
  • NSC6176
  • LA40221
  • DSSTox_RID_80657
  • DSSTox_CID_25082
  • DSSTox_GSID_45082
  • HMS1569J14
  • Cinchonan-9(S)-ol monohydrochloride
  • Tox21_110009
  • Cinchonine monohydrochloride hydrate, 99%
  • BC201737

MDL Number

MFCD00064372

Customs Code

2933990090

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