Chlorhexidine diacetate salt

Catalog	DGS56951
CAS	56-95-1
Structure
Synonyms	Hibitaneacetate; N,N’’-Bis(4-Chlorophenyl)-3,12-diimino-2,4-11,13-tetraazatetradcanediimidamide
IUPAC Name	acetic acid;(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Molecular Weight	625.55
Molecular Formula	C26H38Cl2N10O4
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)
InChI Key	WDRFFJWBUDTUCA-UHFFFAOYSA-N
Melting Point	153-156 °C
Solubility	Soluble in water (15 mg/mL), clear
Complexity	680
EC Number	200-302-4
Exact Mass	624.2454551
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	8
Isomeric 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
Monoisotopic Mass	624.2454551
Rotatable Bond Count	13
Storage Conditions	Room temperature
Topological Polar Surface Area	252 Ų