ChemSpider 2D Image | Chlorhexidine | C22H30Cl2N10

Chlorhexidine

  • Molecular FormulaC22H30Cl2N10
  • Average mass505.447 Da
  • Monoisotopic mass504.203186 Da
  • ChemSpider ID2612

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Chlorhexidine [INN] [Wiki]
1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide]
2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-
200-238-7 [EINECS]
2826432 [Beilstein]
55-56-1 [RN]
56-95-1 [RN]
Chlorhexidin [Czech]
chlorhexidine [French] [INN]
Chlorhexidine base
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

500 [DBID]
DU1925000 [DBID]
R4KO0DY52L [DBID]
24798_FLUKA [DBID]
282227_ALDRICH [DBID]
348031_ALDRICH [DBID]
AIDS004810 [DBID]
AIDS-004810 [DBID]
BRN 2826432 [DBID]
C06902 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      solid OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 9 mg kg-1 (?? unlikely, in view of the mouse LD50 below) , SCU-RAT LD50 > 1000 mg kg-1, IPR-RAT LD50 60 mg kg-1, ORL-MUS LD50 2515 mg kg-1, IVN-MUS LD50 24 mg kg-1 OU Chemical Safety Data (No longer updated) More details

    • Safety:

      A01AB03 Wikidata Q15646788
      B05CA02 Wikidata Q15646788
      D08AC02 Wikidata Q15646788
      D09AA12 Wikidata Q15646788
      R02AA05 Wikidata Q15646788
      S01AX09 Wikidata Q15646788
      S02AA09 Wikidata Q15646788
      S03AA04 Wikidata Q15646788
      Safety glasses. OU Chemical Safety Data (No longer updated) More details

    • Target Organs:

      CAT inhibitor, HNMT inhibitor TargetMol T1000

    • Chemical Class:

      A bisbiguanide compound with a structure consisting of two (<ital>p</ital>-chlorophenyl)guanide units linked by a hexamethylene bridge. ChEBI CHEBI:3614
      A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3614, CHEBI:3614

    • Bio Activity:

      Antibacterial MedChem Express HY-B1248
      Anti-infection MedChem Express HY-B1248
      Anti-infection; MedChem Express HY-B1248
      CAT, HNMT TargetMol T1000
      Chlorhexidine is an antibacterial used as an antiseptic and for other applications. MedChem Express
      Chlorhexidine is an antibacterial used as an antiseptic and for other applications.; Target: Antibacterial; Chlorhexidine belongs to a group of medicines called antiseptic antibacterial agents. MedChem Express HY-B1248
      Chlorhexidine is an antibacterial used as an antiseptic and for other applications.;Target: AntibacterialChlorhexidine belongs to a group of medicines called antiseptic antibacterial agents. It is used to clean the skin after an injury, before surgery, or before an injection. Chlorhexidine is also used to clean the hands before a procedure. It works by killing or preventing the growth of bacteria on the skin. MedChem Express HY-B1248
      Enzyme TargetMol T1000
  • Gas Chromatography

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 591.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.6±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 168 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 363.3±7.0 cm3

Click to predict properties on the Chemicalize site


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