1,8-Octanedione, 1,8-bis(4-butoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride

Base Information

• Chemical Name: 1,8-Octanedione, 1,8-bis(4-butoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride
• CAS No.: 120698-37-5
• Molecular Formula: C42H64 N2 O4 . 2 Cl H
• Molecular Weight: 733.8904
• DSSTox Substance ID: DTXSID70923535
• Mol file: 120698-37-5.mol

Synonyms:1,8-Bis(4-butoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-octanedione 2HCl;1,8-Octanedione, 1,8-bis(4-butoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride;120698-37-5;C42H64N2O4.2ClH;DTXSID70923535;LS-97897;2,7-Bis[(azepan-1-yl)methyl]-1,8-bis(4-butoxyphenyl)octane-1,8-dione--hydrogen chloride (1/2)

Chemical Property of 1,8-Octanedione, 1,8-bis(4-butoxyphenyl)-2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-, dihydrochloride

Chemical Property:

• Vapor Pressure: 1.5E-22mmHg at 25°C
• Boiling Point: 752.8°Cat760mmHg
• Flash Point: 409.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 21
• Exact Mass: 732.4399640
• Heavy Atom Count: 50
• Complexity: 780

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCCC)CN4CCCCCC4.Cl.Cl