Pinacyanol

C25H25ClN2CAS 2768-90-3388.94 g/mol

NN+Cl−
AlkeneTertiary amine

Properties

Molecular formula
C25H25ClN2
Molar mass
388.94 g/mol
Exact mass
388.1706 Da
Melting point
263 °C (decomposes)
logP
2.60Crippen estimate
Polar surface area
7.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
2768-90-3
SMILES
CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.[Cl-]
InChIKey
FVMNARAKYNRZID-UHFFFAOYSA-M
InChI
InChI=1S/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1

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Names and synonyms

10 names
  • Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propen-1-yl]-, chloride (1:1)
  • Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]-, chloride
  • Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propenyl]-, chloride
  • 1-Ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]quinolinium chloride
  • Quinaldine blue
  • Vernitest reagent
  • Pinacyanol chloride
  • 1,1′-Diethyl-2,2′-carbocyanine chloride
  • 1,1′-Diethyl-2,2′-quinocarbocyanine chloride
  • Vernitest

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Similar compounds

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

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