Cinchonine hydrochloride

C₁₉H₂₃ClN₂OCAS 24302-67-8330.86 g/mol

Open in Covalent MOL file

Alcohol Alkene Tertiary amine

Properties

Molecular formula: C₁₉H₂₃ClN₂O
Molar mass: 330.86 g/mol
Exact mass: 330.1499 Da
logP: 3.59Crippen estimate
Polar surface area: 36.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: R, S, R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

24302-67-8

SMILES

C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12.Cl

InChIKey

IMUHWLVEEVGMBC-BKUXTCEESA-N

InChI

InChI=1S/C19H22N2O.ClH/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;1H/t13-,14-,18+,19-;/m0./s1

Weigh it out

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

Names and synonyms

3 names

Cinchonan-9-ol, hydrochloride (1:?), (9S)-
Cinchonine, hydrochloride
Cinchonan-9-ol, hydrochloride, (9S)-

Work with Cinchonine hydrochloride

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.

Cinchonidine485-71-2Free base, diastereomer Cinchonine118-10-5Free base Cinchonidine sulfate524-61-8Salt, diastereomer Cinchonine sulfate5949-16-6Salt

Similar compounds

Quinine hydrochloride130-89-272 % similar (-)-Quinine dihydrochloride60-93-572 % similar Quinine hydrochloride dihydrate6119-47-769 % similar Quinine130-95-068 % similar Quinidine56-54-268 % similar Quinidine sulfate50-54-460 % similar Quinine bisulfate549-56-460 % similar Quinine sulfate804-63-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol109806-71-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook