2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine

Base Information

• Chemical Name: 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine
• CAS No.: 141723-90-2
• Molecular Formula: C17H14 N2 O4
• Molecular Weight: 310.33
• DSSTox Substance ID: DTXSID00931183
• Nikkaji Number: J594.224A
• Mol file: 141723-90-2.mol

Synonyms:2-acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine;2-ADINI

Chemical Property of 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine

Chemical Property:

• Vapor Pressure: 1.48E-09mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 484.9°C at 760 mmHg
• Flash Point: 247.1°C
• Density: 1.31g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 310.09535693
• Heavy Atom Count: 23
• Complexity: 569

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(ON=C1C)N=C2C=C(C(=O)C3=CC=CC=C32)OC(=O)C