7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6h,19h)-tetrone

Base Information

• Chemical Name: 7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6h,19h)-tetrone
• CAS No.: 68003-28-1
• Deprecated CAS: 1329675-79-7
• Molecular Formula: C24H30N6O4
• Molecular Weight: 466.5328
• European Community (EC) Number: 268-115-0
• DSSTox Substance ID: DTXSID8070962
• Nikkaji Number: J342.537A
• Wikidata: Q81998421
• Mol file: 68003-28-1.mol

Synonyms:68003-28-1;EINECS 268-115-0;7,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6h,19h)-tetrone;Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-;C24H30N6O4;7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetraone;Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-;7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone;SCHEMBL4455970;DTXSID8070962;C24-H30-N6-O4;W-111313;Dibenzo[i,t][1,4,7,12,15, 18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone , 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-

Chemical Property of 7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6h,19h)-tetrone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 960.1°C at 760 mmHg
• PKA: 13.34±0.20(Predicted)
• Flash Point: 314.6°C
• PSA: 154.42000
• Density: 1.132g/cm³
• LogP: 0.19800
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 466.23285346
• Heavy Atom Count: 34
• Complexity: 589

Purity/Quality:

99% ^*data from raw suppliers

7,8,9,10,11,12,20,21,22,23,24,25-DODECAHYDRODIBENZO(I,T)(1,4,7,12,15,18)HEXAAZACYCLODOCOSINE-5,13,18,26(6H,19H)TETRONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CNC(=O)C2=CC=CC=C2C(=O)NCCNCCNC(=O)C3=CC=CC=C3C(=O)NCCN1