Bis{N-benzyl-N-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]-2-methyl-2-propanaminium} sulfate
[CAS# 94109-62-3]

Identification

• Name: Bis{N-benzyl-N-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]-2-methyl-2-propanaminium} sulfate
• Synonyms: bis[benzyl-tert-butyl[2-(3,5-dihydroxyphenyl)-2-oxoethyl]ammonium] sulphate
• Molecular Formula: C₃₈H₄₈N₂O₁₀S
• Molecular Weight: 724.86
• CAS Registry Number: 94109-62-3
• EINECS: 302-502-8
• SMILES: Oc1cc(cc(O)c1)C(=O)C[NH+](Cc2ccccc2)C(C)(C)C.[O-]S([O-])(=O)=O.CC(C)(C)[NH+](Cc1ccccc1)CC(=O)c2cc(O)cc(O)c2
• InChI: 1S/2C19H23NO3.H2O4S/c2*1-19(2,3)20(12-14-7-5-4-6-8-14)13-18(23)15-9-16(21)11-17(22)10-15;1-5(2,3)4/h2*4-11,21-22H,12-13H2,1-3H3;(H2,1,2,3,4)
• InChIKey: ONKMOYRCSWGGBN-UHFFFAOYSA-N

Properties

• Boiling point: 875.5°C at 760 mmHg (Cal.)
• Flash point: 483.3°C (Cal.)