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Cinchonine 98% For Synthesis

CAT: 1507-81500100Size: 100 mgDry Ice: NoHazardous: No
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CAS Number
118-10-5
HSN Code
29395900

Chemical Information

Cinchonine

Cinchonine is cinchonan in which a hydrogen at position 9 is substituted by hydroxy (S configuration). It occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. It has a role as a metabolite. It is an (8xi)-cinchonan-9-ol and a cinchona alkaloid. It derives from a hydride of a cinchonan.

CAS Number118-10-5
PubChem CID90454
IUPAC Name(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
Molecular FormulaC19H22N2O
Molecular Weight294.4
XLogP2.7
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity412
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)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-QAMTZSDWSA-N
Chemical Structure
2D Structure
2D structure of Cinchonine
CAS: 118-10-5
CID: 90454
Formula: C19H22N2O
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass294.173213330
Monoisotopic Mass294.173213330
Topological Polar Surface Area36.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
053435-01Cinchonine for Synthesis
00815 00100Cinchonine 98% For Synthesis
T0012-01Cinchonine
HY-W011241Cinchonine (hydrochloride)
300081Cinchonine hydrochloride
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