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Cinchonine 98% For Synthesis

CAT: 1507-81500025Size: 25 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
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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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