Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, inner salt, calcium salt

Base Information

• Chemical Name: Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, inner salt, calcium salt
• CAS No.: 68134-58-7
• Molecular Formula: C30H32CaN2O12S4
• Molecular Weight: 780.9193
• European Community (EC) Number: 268-754-5
• DSSTox Substance ID: DTXSID6071166
• Mol file: 68134-58-7.mol

Synonyms:Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, inner salt, calcium salt;68134-58-7;EINECS 268-754-5;DTXSID6071166;Bis(dimethyl(3-sulfophenyl)(3-sulfobenzyl)ammonium) calcium salt;Dihydrogen bis(dimethyl(3-sulphonatobenzyl)(3-sulphonatophenyl)ammonium), calcium salt;Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, hydroxide, inner salt, calcium salt;Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, inner salt, calcium salt (2:1)

Chemical Property of Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, inner salt, calcium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 780.0464000
• Heavy Atom Count: 49
• Complexity: 605

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=CC=C2)S(=O)(=O)[O-].C[N+](C)(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=CC=C2)S(=O)(=O)[O-].[Ca+2]