4-Azidobenzoyltrimethionine

Base Information

• Chemical Name: 4-Azidobenzoyltrimethionine
• CAS No.: 85119-89-7
• Molecular Formula: C22H32N6O5S3
• Molecular Weight: 556.7217
• DSSTox Substance ID: DTXSID601005524
• Wikidata: Q83000957
• Mol file: 85119-89-7.mol

Synonyms:4-ABMMM;4-azidobenzoyl-Met-Met-Met;4-azidobenzoyltrimethionine

Chemical Property of 4-Azidobenzoyltrimethionine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 17
• Exact Mass: 556.15963166
• Heavy Atom Count: 36
• Complexity: 775

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSCCC(C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)O)NC(=O)C1=CC=C(C=C1)N=[N+]=[N-]
• Isomeric SMILES: CSCC[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C1=CC=C(C=C1)N=[N+]=[N-]