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Chlorhexidine

CAT: 0572-TRC-C335045-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C335045-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55-56-1
Synonyms
N1,N14-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino- (9CI); Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)- (6CI,7CI,8CI); 1,1'-Hexamethylenebis[5-(p-chlorophenyl)biguanide]; 1,6-Bis[5-(p-chlorophenyl)biguanidino]hexane; 1,6-Di(N-p-chlorophenylbiguanidino)hexane; Chlorhexamed forte; Chlorhexidine; Chlorohex; Chlorohexidine; Consepsis; Dentosan; Dezin; Eburos; Fimeil; Hexadol; Hexident; Nolvasan; Periogard; Promax; Soretol; Tubulicid
Hazard Statement
Causes serious eye damage; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
Molecular Formula
C22 H30 Cl2 N10
Molecular Weight
505.45
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)
Additionnal Information
IUPAC name: 1-(4-chlorophenyl)-3-[N-[6-[[N-[N-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]guanidine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Chlorhexidine

Chlorhexidine is a bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. It has a role as an antibacterial agent and an antiinfective agent. It is a member of biguanides and a member of monochlorobenzenes. It is functionally related to a biguanide.

CAS Number55-56-1
PubChem CID9552079
IUPAC Name(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Molecular FormulaC22H30Cl2N10
Molecular Weight505.4
XLogP0.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity648
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
Chemical Structure
2D Structure
2D structure of Chlorhexidine
CAS: 55-56-1
CID: 9552079
Formula: C22H30Cl2N10
MW: 505.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.4
XLogP30.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass504.2031964
Monoisotopic Mass504.2031964
Topological Polar Surface Area178 Ų
Heavy Atom Count34
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C156-5GChlorhexidine
M33315Chlorhexidine digluconate
HY-B1145-01Chlorhexidine (dihydrochloride)

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