Chlorhexidine

Catalog	DGS55561
CAS	55-56-1
Structure
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.)
Purity	99+%
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
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
Rotatable Bond Count	13
Stability	Stable. Incompatible with strong oxidizing agents.
Storage Conditions	Room temperature
Topological Polar Surface Area	178 Ų