Azafrin

Base Information

• Chemical Name: Azafrin
• CAS No.: 507-61-9
• Molecular Formula: C27H38O4
• Molecular Weight: 426.59
• European Community (EC) Number: 610-566-6
• UNII: KTC84VDE1O
• DSSTox Substance ID: DTXSID90878674
• Metabolomics Workbench ID: 157899
• Nikkaji Number: J6.233B
• Wikidata: Q27105895
• Mol file: 507-61-9.mol

Synonyms:5,6-dihydro,5,6-dihydroxy-10'-apo-beta,psi-carotenoic acid;azafrin

Chemical Property of Azafrin

Chemical Property:

• Vapor Pressure: 5.34E-16mmHg at 25°C
• Melting Point: 213°
• Boiling Point: 582.6°Cat760mmHg
• Flash Point: 320.2°C
• PSA: 77.76000
• Density: 1.08g/cm³
• LogP: 5.82690
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 426.27700969
• Heavy Atom Count: 31
• Complexity: 849

Purity/Quality:

98%min ^*data from raw suppliers

AZAFRIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC1(C(CCCC1(C)O)(C)C)O
• Isomeric SMILES: C/C(=C\C=C\C=C(/C)\C=C\C(=O)O)/C=C/C=C(\C)/C=C/[C@@]1([C@](CCCC1(C)C)(C)O)O