| CAS Number | 152504-08-0 |
| Catalog Number | AG00ADMH(AGN-PC-0WAI0S) |
| Chemical Name | Chlorhexidine Diacetate Impurity A |
| IUPAC Name | (1E)-1-[amino-(4-chloroanilino)methylidene]-2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]guanidine |
| InChI | InChI=1S/C16H24ClN9/c17-12-5-7-13(8-6-12)25-16(21)26-15(20)23-10-4-2-1-3-9-22-14(19)24-11-18/h5-8H,1-4,9-10H2,(H3,19,22,24)(H5,20,21,23,25,26) |
| InChI Key | DHPRGDRKNYRMPB-UHFFFAOYSA-N |
| MDL Number | MFCD00150042 |
| Molecular Formula | C16H24ClN9 |
| Molecular Weight | 377.8751 |
| SMILES | Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC#N)cc1 |
| Synonyms | Chlorhexidene Diacetate Impurity A,
152504-08-0,
Chlorhexidine Diacetate Impurity A,
Chlorhexidine Impurity A,
ACM152504080,
J-008926,
N-(4-Chlorophenyl)-N'-[6-[[(cyanoamino)iminomethyl]amino]hexyl]imidodicarbonimidic Diamide,
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| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 377.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.881g/mol |
| Monoisotopic Mass | 377.184g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 163A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
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Certificate of Analysis
Lot Number