Structure

Chlorhexidine

CAS
55-56-1
Catalog Number
ACM55561
Category
Main Products
Molecular Weight
505.45
Molecular Formula
C22H30Cl2N10

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Specification

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
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
Assay
0.999
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.
Storage Conditions
Room temperature
Supplemental Hazard Statements
H315-H319-H334-H335-H410
Symbol
GHS07,GHS08,GHS09
Topological Polar Surface Area
178 Ų
WGK Germany
3
What is the CAS number for Chlorhexidine?

The CAS number for Chlorhexidine is 55-56-1.

What are some synonyms for Chlorhexidine?

Some synonyms for Chlorhexidine include 1,1'-Hexamethylenebis(5-(p-chlorophenyl)-biguanid and 1,6-bis(5-(p-chlorophenyl)biguandino)hexane.

What is the molecular weight of Chlorhexidine?

The molecular weight of Chlorhexidine is 505.45.

What is the molecular formula of Chlorhexidine?

The molecular formula of Chlorhexidine is C22H30Cl2N10.

What is the InChI key for Chlorhexidine?

The InChI key for Chlorhexidine is GHXZTYHSJHQHIJ-UHFFFAOYSA-N.

What is the melting point of Chlorhexidine?

The melting point of Chlorhexidine is 134-136 °C (lit.).

What is the purity of Chlorhexidine?

The purity of Chlorhexidine is 99+%.

What is the density of Chlorhexidine?

The density of Chlorhexidine is 1.39 g/cm³.

What are the typical applications of Chlorhexidine?

Chlorhexidine is commonly used as an antimicrobial agent and preservative.

What is the physical state of Chlorhexidine?

The physical state of Chlorhexidine is a solid in the form of white powder.

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