Molecule record

(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine

C22H30Cl2N10

505.46 g/mol

Loading structure

Molecular properties

Formula
C22H30Cl2N10
Molar mass
505.46 g·mol−1
Exact mass
504.2032 Da
12
PubChem CID
9552079

Functional groups

Alkane / alkyl carbon
Aromatic ring
Aryl halide
Primary amine
Secondary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)
  • 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane
  • 1,6-Bis(p-chlorophenyldiguanido)hexane
  • 1,6-Di(4'-chlorophenyldiguanido)hexane
  • 1,6-Di(N-p-chlorophenyldiguanido)hexane
  • 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-
  • 55-56-1
  • CHEBI:3614
Show all 24 synonyms
  • Chlorhexadine
  • Chlorhexidin
  • Chlorhexidinum
  • Cloresidina
  • Clorhexidina
  • DTXSID2033314
  • Dentisept
  • Fimeil
  • Hexadol
  • Merfen-incolore
  • Nolvasan
  • R4KO0DY52L
  • Soretol
  • Sterilon
  • Tubulicid
  • chlorhexidine

Structure identifiers

Canonical SMILES
NC(=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
Isomeric SMILES
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl
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)
InChIKey
GHXZTYHSJHQHIJ-UHFFFAOYSA-N
PubChem CID
9552079

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record