4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)

Base Information

• Chemical Name: 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)
• CAS No.: 160455-71-0
• Molecular Formula: C13H18 N6 O4
• Molecular Weight: 322.3198
• DSSTox Substance ID: DTXSID80936297
• Nikkaji Number: J543.895K
• Mol file: 160455-71-0.mol

Synonyms:160455-71-0;3H-1,2,4-Triazol-3-one, 4,4'-methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-;4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one);DTXSID80936297;STL322113;AKOS022103368;LS-156540;4,4'-Methylenebis[1-glycidyl-3-methyl-1H-1,2,4-triazol-5(4H)-one];4,4'-methanediylbis[5-methyl-2-(oxiran-2-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one];4,4'-methylenebis(3-methyl-1-(oxiran-2-ylmethyl)-1H-1,2,4-triazol-5(4H)-one);4,4'-Methylenebis{5-methyl-2-[(oxiran-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one}

Chemical Property of 4,4'-Methylenebis(2,4-dihydro-5-methyl-2-(oxiranylmethyl)-3H-1,2,4-triazol-3-one)

Chemical Property:

• Boiling Point: 445.4oC at 760 mmHg
• Flash Point: 223.2oC
• PSA: 104.70000
• Density: 1.73g/cm3
• LogP: -1.67680
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 322.13895308
• Heavy Atom Count: 23
• Complexity: 568

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)N1CN2C(=NN(C2=O)CC3CO3)C)CC4CO4