Chlorhexidine

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Catalog Number
ACM55561
Product Name
Chlorhexidine
Structure
Structure
CAS
55-56-1
Category
Main Products
Synonyms
1,1’-Hexamethylenebis(5-(p-chlorophenyl)-biguanid;1,6-bis(5-(p-chlorophenyl)biguandino)hexane; 1,6-bis(p-chlorophenyldiguanido)hexane
IUPAC Name
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Molecular Weight
505.45
Molecular Formula
C22H30Cl2N10
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)
InChI Key
GHXZTYHSJHQHIJ-UHFFFAOYSA-N
Melting Point
134-136 °C (lit.)
Density
1.39 g/cm³
Solubility
Soluble in water (0.08%) at 20 °C
Appearance
White powder
Complexity
649
EC Number
200-238-7
Exact Mass
504.2031964
Formal Charge
0
Hazard Statements
Xi,N
Heavy Atom Count
34
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
6
Isomeric SMILES
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl
MDL Number
MFCD00009673
Monoisotopic Mass
504.2031964
Packaging
1 kg
Packing Group
III
Physical State
Solid
Rotatable Bond Count
13
Safety Description
26-36/37-60-61
Stability
Stable. Incompatible with strong oxidizing agents.
Supplemental Hazard Statements
H315-H319-H334-H335-H410
Symbol
GHS07,GHS08,GHS09
Topological Polar Surface Area
178 Ų
WGK Germany
3
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