5-Ethyl-4a-hydroperoxy-3,8,10-trimethylbenzo[g]pteridine-2,4-dione

Base Information

• Chemical Name: 5-Ethyl-4a-hydroperoxy-3,8,10-trimethylbenzo[g]pteridine-2,4-dione
• CAS No.: 94099-56-6
• Molecular Formula: C15H18 N4 O4
• Molecular Weight: 318.32782
• DSSTox Substance ID: DTXSID20916497
• Mol file: 94099-56-6.mol

Synonyms:4 alpha-hydroperoxy-5-ethyl-3,8,10-trimethylisoalloxazine;FLETOOH

Chemical Property of 5-Ethyl-4a-hydroperoxy-3,8,10-trimethylbenzo[g]pteridine-2,4-dione

Chemical Property:

• Vapor Pressure: 3.05E-11mmHg at 25°C
• Boiling Point: 510.4°Cat760mmHg
• Flash Point: 262.5°C
• PSA: 85.68000
• Density: 1.4g/cm³
• LogP: 0.95100
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 318.13280507
• Heavy Atom Count: 23
• Complexity: 566

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCN1C2=C(C=C(C=C2)C)N(C3=NC(=O)N(C(=O)C31OO)C)C

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