Neoxaline

Base Information

• Chemical Name: Neoxaline
• CAS No.: 71812-10-7
• Molecular Formula: C₂₃H₂₅N₅O₄
• Molecular Weight: 435.483
• DSSTox Substance ID: DTXSID80893992
• Nikkaji Number: J135.578C
• Wikipedia: Neoxaline
• Wikidata: Q15425784
• Mol file: 71812-10-7.mol

Synonyms:neoxaline

Chemical Property of Neoxaline

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 114.28000
• Density: 1.44g/cm³
• LogP: 1.93780
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 435.19065430
• Heavy Atom Count: 32
• Complexity: 874

Purity/Quality:

98%Min ^*data from raw suppliers

Neoxaline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=C)C12CC(C(=O)N3C1(NC(=O)C3=CC4=CN=CN4)N(C5=CC=CC=C25)OC)O
• Isomeric SMILES: CC(C)(C=C)C12CC(C(=O)N\3C1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)O
• Uses: Neoxaline is an alkaloid antimitotic and antiproliferative agent.