chempirical

Cinchonine

C19H22N2OCAS 118-10-5294.40 g/mol

Open in Covalent MOL file
NHON
AlcoholTertiary 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

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

Same formula

(16S,19Z)-Sarpagan-17-ol1358-75-4 Cinchonidine485-71-2 (-)-Eburnamonine4880-88-0

Elsewhere

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