chempirical

Dequalinium chloride

C30H40Cl2N4CAS 522-51-0527.58 g/mol

Open in Covalent MOL file
HNNNNHHClHCl

Properties

Molecular formula
C30H40Cl2N4
Molar mass
527.58 g/mol
Exact mass
526.2630 Da
Melting point
326 °C (decomposes)
logP
7.84Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
11

Identifiers

CAS number
522-51-0
SMILES
Cc1cc(=N)c2ccccc2n1CCCCCCCCCCn1c(C)cc(=N)c2ccccc21.Cl.Cl
InChIKey
LTNZEXKYNRNOGT-UHFFFAOYSA-N
InChI
InChI=1S/C30H38N4.2ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H

Weigh it out

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

Names and synonyms

37 names · show all
  • Quinolinium, 1,1′-(1,10-decanediyl)bis[4-amino-2-methyl-, chloride (1:2)
  • Quinaldinium, 1,1′-decamethylenebis[4-amino-, dichloride
  • Quinolinium, 1,1′-(1,10-decanediyl)bis[4-amino-2-methyl-, dichloride
  • 1,1′-Decamethylenebis[4-aminoquinaldinium chloride]
  • BAQD 10
  • Decamethylenebis[4-aminoquinaldinium chloride]
  • Dequadin chloride
  • Sorot
  • Decamine
  • Efisol
  • Dekamin
  • Evazol
  • Dekadin
  • Dequavagyn
  • Grocreme
  • Dequavet
  • Polycidine
  • Decamine (pharmaceutical)
  • Ivazil
  • Sanoral
  • Sentril
  • Oralgol
  • Rumilet
  • Dequadin
  • Labosept
  • Dequacets
  • Fluomycin N
  • BADQ 10
  • Dekamiln
  • Eriosept
  • Decatylen
  • Phylletten
  • Optipect
  • Dequafungen
  • LDN 0096422
  • NSC 166454
  • Fluomizin

Work with Dequalinium chloride

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

2-Methyl-1-octyl-1H-indole42951-39-349 % similar 1-Butyl-2-methyl-1H-indole42951-35-944 % similar 1-Ethyl-2-methyl-1H-indole40876-94-636 % similar 4-Amino-2-methylquinoline6628-04-236 % similar 9-Ethylcarbazole86-28-234 % similar Carbazole-9-ethanol1484-14-633 % similar Red I 6B50292-95-031 % similar 9-Ethyl-3-carbazolecarboxaldehyde7570-45-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook