1,3-Benzenedisulfonic acid, 4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo[ij]quinolizin-9-yl)methyl]-

Base Information

• Chemical Name: 1,3-Benzenedisulfonic acid, 4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo[ij]quinolizin-9-yl)methyl]-
• CAS No.: 63549-43-9
• Molecular Formula: C31H34N2O8S2
• Molecular Weight: 626.7403
• European Community (EC) Number: 264-305-2
• DSSTox Substance ID: DTXSID8069933
• Nikkaji Number: J349.255I
• Mol file: 63549-43-9.mol

Synonyms:63549-43-9;1,3-benzenedisulfonic acid, 4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo[ij]quinolizin-9-yl)methyl]-;EINECS 264-305-2;1,3-Benzenedisulfonic acid, 4-(bis(2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo(ij)quinolizin-9-yl)methyl)-;4-(Bis(2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo(ij)quinolizin-9-yl)methyl)benzene-1,3-disulphonic acid;4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizin-9-yl)methyl]benzene-1,3-disulphonic acid;DTXSID8069933;C31H34N2O8S2;C31-H34-N2-O8-S2;4-[bis-(2,3,6,7-Tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizin-9-yl)methyl]benzene-1,3-disulfonic acid;4-[Bis[(2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizin)-9-yl]methyl]-1,3-benzenedisulfonic acid

Chemical Property of 1,3-Benzenedisulfonic acid, 4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo[ij]quinolizin-9-yl)methyl]-

Chemical Property:

• Refractive Index: 1.779
• PSA: 172.44000
• Density: 1.64 g/cm³
• LogP: 6.46060
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 626.17565839
• Heavy Atom Count: 43
• Complexity: 1190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC(=C(C3=C2N(C1)CCC3)O)C(C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)C5=C(C6=C7C(=C5)CCCN7CCC6)O