Chlorhexidene Diacetate Impurity A

Base Information

• Chemical Name: Chlorhexidene Diacetate Impurity A
• CAS No.: 152504-08-0
• Molecular Formula: C16H24ClN9
• Molecular Weight: 377.87506
• UNII: 92HGD8Y2JC
• Mol file: 152504-08-0.mol

Synonyms:152504-08-0;Chlorhexidene Diacetate Impurity A;Chlorhexidine nitrile;92HGD8Y2JC;N-(4-Chlorophenyl)-N'-[6-[[(cyanoamino)iminomethyl]amino]hexyl]imidodicarbonimidic Diamide;(1E)-1-[amino-(4-chloroanilino)methylidene]-2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]guanidine;1-(4-Chlorophenyl)-5-(6-((cyanocarbamimidoyl) amino)hexyl)biguanide;Imidodicarbonimidic diamide, N-(4-chlorophenyl)-N'-(6-(((cyanoamino)iminomethyl)amino)hexyl)-;N-(4-Chlorophenyl)-N'-(6-(((cyanoamino)iminomethyl)amino)hexyl)imidodicarbonimidic diamide;Chlorhexidine Impurity A;UNII-92HGD8Y2JC;Chlorhexidine nitrile [USP];CHLORHEXIDINE NITRILE [USP IMPURITY];J-008926;CHLORHEXIDINE DIACETATE IMPURITY A [EP IMPURITY]

Chemical Property of Chlorhexidene Diacetate Impurity A

Chemical Property:

• Vapor Pressure: 9.44E-10mmHg at 25°C
• Boiling Point: 490.1°C at 760 mmHg
• PKA: 11.21±0.10(Predicted)
• Flash Point: 250.2°C
• Density: 1.34g/cm³
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO, Methanol (Slightly)
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 377.1843195
• Heavy Atom Count: 26
• Complexity: 541

Purity/Quality:

99%, ^*data from raw suppliers

CHLORHEXIDENE DIACETATE IMPURITY A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)NC#N)N)N)Cl
• Isomeric SMILES: C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(N)NC#N)N)/N)Cl
• Uses: An impurity standard for Chlorhexidene An impurity standard for Chlorhexidine.