Chlorhexidine HCl

Catalog	DGS3697425
CAS	3697-42-5
Structure
Synonyms	Chlorhexidine dihydrochloride
IUPAC Name	(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride
Molecular Weight	578.37
Molecular Formula	C22H32Cl4N10
InChI	InChI=1S/C22H30Cl2N10.2ClH/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);2*1H
InChI Key	WJLVQTJZDCGNJN-UHFFFAOYSA-N
Melting Point	111-116 °C
Appearance	White crystalline solid
Complexity	649
EC Number	223-026-6
Exact Mass	578.153602
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	8
Isomeric SMILES	C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl.Cl
Monoisotopic Mass	576.156552
Rotatable Bond Count	13
Storage Conditions	Room temperature
Topological Polar Surface Area	178 Ų