chempirical

Chlorhexidine

C22H30Cl2N10CAS 55-56-1505.45 g/mol

Open in Covalent MOL file
NHNHNHNHNHNHHNClHNNHHNCl
Aryl halideGuanidine

Properties

Molecular formula
C22H30Cl2N10
Molar mass
505.45 g/mol
Exact mass
504.2032 Da
Melting point
134 °C
logP
4.18Crippen estimate
Polar surface area
167.6 Ų
H-bond donors / acceptors
10 / 4
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55-56-1
SMILES
N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
InChIKey
GHXZTYHSJHQHIJ-UHFFFAOYSA-N
InChI
InChI=1S/C22H30Cl2N10/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/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)

Weigh it out

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

Names and synonyms

24 names · show all
  • 2,4,11,13-Tetraazatetradecanediimidamide, N1,N14-bis(4-chlorophenyl)-3,12-diimino-
  • Biguanide, 1,1′-hexamethylenebis[5-(p-chlorophenyl)-
  • 2,4,11,13-Tetraazatetradecanediimidamide, N,N′′-bis(4-chlorophenyl)-3,12-diimino-
  • N1,N14-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide
  • 1,6-Bis[5-(p-chlorophenyl)biguanidino]hexane
  • Nolvasan
  • 1,1′-Hexamethylenebis[5-(p-chlorophenyl)biguanide]
  • Soretol
  • Chlorohex
  • Fimeil
  • Hexadol
  • Chlorohexidine
  • Tubulicid
  • 1,6-Di(N-p-chlorophenylbiguanidino)hexane
  • Promax
  • Eburos
  • Hexident
  • Chlorhexamed forte
  • Consepsis
  • Dezin
  • Periogard
  • Dentosan
  • Chlorohexidene
  • Prevora

Work with Chlorhexidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Chlorhexidine gluconate18472-51-0Salt Chlorhexidine acetate56-95-1Salt Chlorhexidine hydrochloride3697-42-5Salt

Similar compounds

Proguanil500-92-556 % similar 1-(p-Chlorophenyl)biguanide monohydrochloride4022-81-552 % similar 4-Chlorophenylurea140-38-547 % similar N-(4-Chlorophenyl)thiourea3696-23-944 % similar N-(4-Chlorophenyl)-2-chloroacetamide3289-75-638 % similar Robenidine25875-51-837 % similar N-m-Chlorophenylbiguanide hydrochloride2113-05-537 % similar Diphenylguanidine102-06-735 % similar

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

Elsewhere

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