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Chlorhexidine Diacetate

CAT: 0572-TRC-C335055-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C335055-5GSize:5 g
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CAS Number
56-95-1
Synonyms
Chlorhexidine Diacetate; N,N''-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide acetate (1:2); N,N''-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide diacetate; 1,1'-Hexamethylenebis[5-(p-chlorophenyl)biguanide diacetate; 1,6-Bis(p-chlorophenylbiguanido)hexane diacetate; Arlacide A; Bactigras; Chlorasept 2000; Chlorhexidine acetate; Chlorhexidine diacetate; Chlorzoin; Dosisepsine; EC 40; EC 40 (antibacterial); Hibitane diacetate; Jie-Yin Liquid Disinfectant; NSC 526936
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(=O)O.CC(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
Molecular Formula
C22 H30 Cl2 N10 . 2 C2 H4 O2
Molecular Weight
625.55
InChI
InChI=1S/C22H30Cl2N10.2C2H4O2/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;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)
Additionnal Information
IUPAC name: acetic acid;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 Acetate

Chlorhexidine acetate is the acetate salt of chlorhexidine. It is a disinfectant used for bacterial control in hospital, agricultural and domestic environments. It has a role as an antibacterial agent, an antiinfective agent, an antifungal agent and an antifouling biocide. It contains a chlorhexidine.

CAS Number56-95-1
PubChem CID9562059
IUPAC Nameacetic acid;(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Molecular FormulaC26H38Cl2N10O4
Molecular Weight625.5
Topological Polar Surface Area252
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count42
Formal Charge0
Complexity679
SMILES
CC(=O)O.CC(=O)O.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/C22H30Cl2N10.2C2H4O2/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;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)
InChIKey
WDRFFJWBUDTUCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorhexidine Acetate
CAS: 56-95-1
CID: 9562059
Formula: C26H38Cl2N10O4
MW: 625.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass624.2454551
Monoisotopic Mass624.2454551
Topological Polar Surface Area252 Ų
Heavy Atom Count42
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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