3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)

Base Information

• Chemical Name: 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)
• CAS No.: 58191-87-0
• Molecular Formula: C26H29F3N4O5
• Molecular Weight: 534.5275
• DSSTox Substance ID: DTXSID30206937

Synonyms:SL-B 868;3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1);58191-87-0;DTXSID30206937;C24H27F3N4O.C2H2O4;LS-60241;C24-H27-F3-N4-O.C2-H2-O4

Chemical Property of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.81E-12mmHg at 25°C
• Boiling Point: 557.6°C at 760 mmHg
• Flash Point: 291°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 534.20900452
• Heavy Atom Count: 38
• Complexity: 726

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=NN(C(=O)C1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4.C(=O)(C(=O)O)O

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