6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)

Base Information

• Chemical Name: 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)
• CAS No.: 90829-56-4
• Molecular Formula: C25H30 N2 O6 S2
• Molecular Weight: 518.6455
• DSSTox Substance ID: DTXSID30238293
• Nikkaji Number: J729.828E
• Wikidata: Q83120562
• Mol file: 90829-56-4.mol

Synonyms:6,6'-methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline);6,6'-methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline), di-Na salt;MTDQ-DA;MTDQ-DS

Chemical Property of 6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 149.56000
• Density: 1.319g/cm³
• LogP: 6.66560
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 518.15452903
• Heavy Atom Count: 35
• Complexity: 996

Purity/Quality:

6,6'-METHYLENEBIS-(2,2-DIMETHYL-4-METHANESULFONIC ACID-1,2-DIHYDROQUINOLINE) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=C(C2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(C=C4CS(=O)(=O)O)(C)C)CS(=O)(=O)O)C