1,4,7,9b-Tetraazaphenalene, dodecahydro-1,4,7-tris(o-tolylcarbamoyl)-

Base Information

• Chemical Name: 1,4,7,9b-Tetraazaphenalene, dodecahydro-1,4,7-tris(o-tolylcarbamoyl)-
• CAS No.: 74039-53-5
• Molecular Formula: C33H39N7O3
• Molecular Weight: 581.7079
• DSSTox Substance ID: DTXSID00995442
• Nikkaji Number: J130.132B
• Mol file: 74039-53-5.mol

Synonyms:74039-53-5;1,4,7-Tris-o-tolylcarbamoyldodecahydro-1,4,7,9b-tetraazophenalene;1,4,7,9b-Tetraazaphenalene, dodecahydro-1,4,7-tris(o-tolylcarbamoyl)-;DTXSID00995442;C33H39N7O3;C33-H39-N7-O3;LS-148843;Dodecahydro-N,N',N''-tri-o-tolyl-1,4,7,9b-tetraazaphenalene-1,4,7-tricarboxamide;1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxamide, hexahydro-N,N',N''-tris(2-methylphenyl)-;N~1~,N~4~,N~7~-Tris(2-methylphenyl)hexahydro-1,4,7,9b-tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboximidic acid

Chemical Property of 1,4,7,9b-Tetraazaphenalene, dodecahydro-1,4,7-tris(o-tolylcarbamoyl)-

Chemical Property:

• Boiling Point: 866.5°Cat760mmHg
• Flash Point: 477.8°C
• PSA: 110.73000
• Density: 1.33g/cm³
• LogP: 5.79770
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 581.31143813
• Heavy Atom Count: 43
• Complexity: 887

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=O)N2CCC3N(CCC4N3C2CCN4C(=O)NC5=CC=CC=C5C)C(=O)NC6=CC=CC=C6C