chempirical

Quinaldine red

C21H23IN2CAS 117-92-0430.33 g/mol

Open in Covalent MOL file
N+NI−
AlkeneTertiary amine

Properties

Molecular formula
C21H23IN2
Molar mass
430.33 g/mol
Exact mass
430.0906 Da
Melting point
241–243 °C
logP
1.39Crippen estimate
Polar surface area
7.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
117-92-0
SMILES
CC[n+]1c(C=Cc2ccc(N(C)C)cc2)ccc2ccccc21.[I-]
InChIKey
JOLANDVPGMEGLK-UHFFFAOYSA-M
InChI
InChI=1S/C21H23N2.HI/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3;/h5-16H,4H2,1-3H3;1H/q+1;/p-1

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Names and synonyms

10 names
  • Quinolinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1)
  • Quinolinium, 2-[p-(dimethylamino)styryl]-1-ethyl-, iodide
  • Quinolinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide
  • 2-[p-(Dimethylamino)styryl]-1-ethylquinolinium iodide
  • α-(p-Dimethylaminophenylethylene)quinoline ethiodide
  • 2-(p-Dimethylaminostyryl)quinoline ethiodide
  • Eastman 1361
  • 1-Ethyl-2-(p-dimethylaminostyryl)quinoline iodide
  • 2-[4-(Dimethylamino)styryl]-1-ethylquinolinium iodide
  • NK 92

Work with Quinaldine red

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

Similar compounds

1-Ethyl-2-methylquinolinium iodide606-55-348 % similar Pinacyanol605-91-447 % similar Pinacyanol2768-90-340 % similar 1-Ethylquinolinium iodide634-35-539 % similar N,N-Dimethyl-2-naphthalenamine2436-85-334 % similar 4-(Dimethylamino)cinnamaldehyde6203-18-534 % similar 3-Ethyl-2-methylbenzothiazolium iodide3119-93-533 % similar 4-(Dimethylamino)cinnamic acid1552-96-131 % similar

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

Elsewhere

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