trans-Octahydro-1H,4H,7H-1,3a,6a,9-tetraazaphenalene

Base Information

• Chemical Name: trans-Octahydro-1H,4H,7H-1,3a,6a,9-tetraazaphenalene
• CAS No.: 78695-55-3
• Molecular Formula: C9H18N4
• Molecular Weight: 182.269
• European Community (EC) Number: 615-288-9,616-647-2,616-648-8
• DSSTox Substance ID: DTXSID201211050,DTXSID001217921,DTXSID401238347
• Nikkaji Number: J1.153.337J,J1.153.339F
• Mol file: 78695-55-3.mol

Synonyms:SCHEMBL14337466;DTXSID001217921;DTXSID201211050;DTXSID401238347;1H,4H,7H-1,3a,6a,9-Tetraazaphenalene, octahydro-;trans-Octahydro-1H,4H,7H-1,3a,6a,9-tetraazaphenalene;1H,4H,7H-1,3a,6a,9-Tetraazaphenalene, octahydro-, cis-;(9aalpha,9balpha)-2,3,5,6,8,9,9a,9b-Octahydro-4H,7H-1,3a,6a,9-tetraaza-1H-phenalene;7140-43-4;78695-54-2;78695-55-3

Chemical Property of trans-Octahydro-1H,4H,7H-1,3a,6a,9-tetraazaphenalene

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 182.153146591
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN2CCNC3C2N(C1)CCN3