chempirical

Octenidine dihydrochloride

C36H64Cl2N4CAS 70775-75-6623.84 g/mol

Open in Covalent MOL file
NNNNHClHCl

Properties

Molecular formula
C36H64Cl2N4
Molar mass
623.84 g/mol
Exact mass
622.4508 Da
Melting point
215–217 °C
logP
10.48Crippen estimate
Polar surface area
34.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
25

Identifiers

CAS number
70775-75-6
SMILES
CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl
InChIKey
SMGTYJPMKXNQFY-UHFFFAOYSA-N
InChI
InChI=1S/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H

Weigh it out

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

Names and synonyms

8 names
  • 1-Octanamine, N,N′-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, hydrochloride (1:2)
  • 1-Octanamine, N,N′-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, dihydrochloride
  • Octenidine hydrochloride
  • Octeniderm
  • Neo kodan
  • Win 41464-2
  • Octenilin
  • Octenidol

Work with Octenidine dihydrochloride

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

N-Octyl-4-pyridinamine64690-19-353 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-538 % similar 1-Decyl-3-methylimidazolium chloride171058-18-738 % similar 1-Octyl-3-methylimidazolium chloride64697-40-138 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-935 % similar 1-Octyl-3-methylimidazolium hexafluorophosphate304680-36-233 % similar 2-N-Octyl-4-isothiazolin-3-one26530-20-133 % similar Hexylammonium chloride142-81-432 % similar

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

Elsewhere

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