1H-Azepine, hexahydro-1-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)-, (Z)-2-butenedioate (1:2)

Base Information

• Chemical Name: 1H-Azepine, hexahydro-1-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)-, (Z)-2-butenedioate (1:2)
• CAS No.: 60960-04-5
• Molecular Formula: C37H45N5O10
• Molecular Weight: 719.7807

Synonyms:1H-Azepine, hexahydro-1-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)-, (Z)-2-butenedioate (1:2);60960-04-5;C29H37N5O2.2C4H4O4;LS-22864;C29-H37-N5-O2.2C4-H4-O4

Chemical Property of 1H-Azepine, hexahydro-1-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)-, (Z)-2-butenedioate (1:2)

Chemical Property:

• Vapor Pressure: 6.61E-20mmHg at 25°C
• Boiling Point: 708.2°C at 760 mmHg
• Flash Point: 382.1°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 719.31664265
• Heavy Atom Count: 52
• Complexity: 829

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CCN(CCC1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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