4,5,6,7-Tetrahydro-1-ethyl-5-(hexahydro-1H-azepin-1-yl)benzimidazole fumarate (1:3)

Base Information

• Chemical Name: 4,5,6,7-Tetrahydro-1-ethyl-5-(hexahydro-1H-azepin-1-yl)benzimidazole fumarate (1:3)
• CAS No.: 99700-14-8
• Molecular Formula: C27H37N3O12
• Molecular Weight: 595.5956
• Mol file: 99700-14-8.mol

Synonyms:4,5,6,7-Tetrahydro-1-ethyl-5-(hexahydro-1H-azepin-1-yl)benzimidazole fumarate (1:3);Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(hexahydro-1H-azepin-1-yl)-, fumarate (1:3);99700-14-8;C15H25N3.3C4H4O4;LS-33175;C15-H25-N3.3C4-H4-O4

Chemical Property of 4,5,6,7-Tetrahydro-1-ethyl-5-(hexahydro-1H-azepin-1-yl)benzimidazole fumarate (1:3)

Chemical Property:

• Vapor Pressure: 2.99E-07mmHg at 25°C
• Boiling Point: 419.7°Cat760mmHg
• Flash Point: 207.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 595.23772362
• Heavy Atom Count: 42
• Complexity: 379

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=NC2=C1CCC(C2)N3CCCCCC3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCN1C2=C(N=C1)CC(CC2)N3CCCCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O