Cinchonine

C19H22N2OCAS 118-10-5294.40 g/mol

Open in Covalent MOL file
NHON
AlcoholAlkeneTertiary amine

Properties

Molecular formula
C19H22N2O
Molar mass
294.40 g/mol
Exact mass
294.1732 Da
Melting point
265 °C
logP
3.16Crippen estimate
Polar surface area
36.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
R, S, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
118-10-5
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12
InChIKey
KMPWYEUPVWOPIM-QAMTZSDWSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Cinchonan-9-ol, (9S)-
  • (9S)-Cinchonan-9-ol
  • d-Cinchonine
  • (+)-Cinchonine
  • (8R,9S)-Cinchonine
  • NSC 6176

Work with Cinchonine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cinchonidine485-71-2Diastereomer Cinchonidine sulfate524-61-8Salt, diastereomer Cinchonine hydrochloride24302-67-8Salt Cinchonine sulfate5949-16-6Salt

Similar compounds

Quinine130-95-071 % similar Quinidine56-54-271 % similar Quinine hydrochloride130-89-268 % similar (-)-Quinine dihydrochloride60-93-568 % similar Quinine hydrochloride dihydrate6119-47-765 % similar Quinidine sulfate50-54-463 % similar Quinine bisulfate549-56-463 % similar Quinine sulfate804-63-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(16S,19Z)-Sarpagan-17-ol1358-75-4 (-)-Eburnamonine4880-88-0

Elsewhere

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