4-[6-[6-[6-(4,5-Dihydroxycyclohexen-1-yl)-1-azabicyclo[3.1.0]hexan-6-yl]hexyl]-1-azabicyclo[3.1.0]hexan-6-yl]benzene-1,2-diol

Base Information

• Chemical Name: 4-[6-[6-[6-(4,5-Dihydroxycyclohexen-1-yl)-1-azabicyclo[3.1.0]hexan-6-yl]hexyl]-1-azabicyclo[3.1.0]hexan-6-yl]benzene-1,2-diol
• CAS No.: 137550-79-9
• Molecular Formula: C28H40N2O4
• Molecular Weight: 468.6282
• DSSTox Substance ID: DTXSID80929826
• Mol file: 137550-79-9.mol

Synonyms:N,N-1,6-bis(2-(3,4-dihydroxybenzyl)pyrrolidinyl)hexane;RS 12254;RS-12254

Chemical Property of 4-[6-[6-[6-(4,5-Dihydroxycyclohexen-1-yl)-1-azabicyclo[3.1.0]hexan-6-yl]hexyl]-1-azabicyclo[3.1.0]hexan-6-yl]benzene-1,2-diol

Chemical Property:

• Vapor Pressure: 5.27E-17mmHg at 25°C
• Boiling Point: 635.2°Cat760mmHg
• Flash Point: 330°C
• PSA: 86.94000
• Density: 1.33g/cm³
• LogP: 3.64630
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 468.29880776
• Heavy Atom Count: 34
• Complexity: 790

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(N2C1)(CCCCCCC3(C4N3CCC4)C5=CC(=C(C=C5)O)O)C6=CCC(C(C6)O)O