chempirical

Chlorhexidine acetate

C24H34Cl2N10O2CAS 56-95-1565.50 g/mol

Open in Covalent MOL file
OOHNHNHNHNHNHNHHNClHNNHHNCl
Aryl halideCarboxylic acidGuanidine

Properties

Molecular formula
C24H34Cl2N10O2
Molar mass
565.50 g/mol
Exact mass
564.2243 Da
Melting point
154–155 °C
logP
4.27Crippen estimate
Polar surface area
204.9 Ų
H-bond donors / acceptors
11 / 5
Rotatable bonds
9

Identifiers

CAS number
56-95-1
SMILES
CC(=O)O.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
InChIKey
STXIUCWIIZWUGG-UHFFFAOYSA-N
InChI
InChI=1S/C22H30Cl2N10.C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);1H3,(H,3,4)

Weigh it out

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

Names and synonyms

15 names · show all
  • 2,4,11,13-Tetraazatetradecanediimidamide, N,N′′-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)
  • Biguanide, 1,1′-hexamethylenebis[5-(p-chlorophenyl)-, diacetate
  • 2,4,11,13-Tetraazatetradecanediimidamide, N,N′′-bis(4-chlorophenyl)-3,12-diimino-, diacetate
  • Chlorhexidine diacetate
  • Hibitane diacetate
  • 1,6-Bis(p-chlorophenylbiguanido)hexane diacetate
  • Bactigras
  • Arlacide A
  • Chlorzoin
  • EC 40
  • EC 40 (antibacterial)
  • Chlorasept 2000
  • NSC 526936
  • Dosisepsine
  • Jie-yin liquid disinfectant

Work with Chlorhexidine acetate

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

Chlorhexidine55-56-174 % similar Chlorhexidine hydrochloride3697-42-570 % similar Chlorhexidine gluconate18472-51-059 % similar Proguanil500-92-547 % similar 4-Chlorophenylurea140-38-543 % similar 1-(p-Chlorophenyl)biguanide monohydrochloride4022-81-542 % similar Dodine2439-10-341 % similar Piperidinium acetate4540-33-439 % similar

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

Elsewhere

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