Chlorhexidine phosphanilate

Base Information

• Chemical Name: Chlorhexidine phosphanilate
• CAS No.: 77146-42-0
• Molecular Formula: C22H30Cl2N10^.2C6H8NO3P
• Molecular Weight: 851.6594
• UNII: I20F29W4EO
• NCI Thesaurus Code: C169844
• Mol file: 77146-42-0.mol

Synonyms:chlorhexidine diphosphanilate;chlorhexidine phosphanilate;chlorhexidine phosphanilic acid complex;WP 973;WP-973

Chemical Property of Chlorhexidine phosphanilate

Chemical Property:

• Boiling Point: 699.3 °C at 760 mmHg
• Flash Point: 376.7 °C
• PSA: 354.30000
• LogP: 7.58980
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 850.2515566
• Heavy Atom Count: 56
• Complexity: 819

Purity/Quality:

99% ^*data from raw suppliers

CHLORHEXIDINE PHOSPHANILATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)P(=O)(O)O.C1=CC(=CC=C1N)P(=O)(O)O.C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
• Isomeric SMILES: C1=CC(=CC=C1N)P(=O)(O)O.C1=CC(=CC=C1N)P(=O)(O)O.C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl
• Uses: Antibacterial.

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