Bis{N-benzyl-N-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]-2-propanaminium} sulfate
[CAS# 94109-60-1]

Identification

• Name: Bis{N-benzyl-N-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]-2-propanaminium} sulfate
• Synonyms: bis[benzyl[2-(3,5-dihydroxyphenyl)-2-oxoethyl]isopropylammonium] sulphate
• Molecular Formula: C₃₆H₄₄N₂O₁₀S
• Molecular Weight: 696.81
• CAS Registry Number: 94109-60-1
• EINECS: 302-501-2
• SMILES: Oc1cc(cc(O)c1)C(=O)C[NH+](Cc2ccccc2)C(C)C.[O-]S([O-])(=O)=O.CC(C)[NH+](Cc1ccccc1)CC(=O)c2cc(O)cc(O)c2
• InChI: 1S/2C18H21NO3.H2O4S/c2*1-13(2)19(11-14-6-4-3-5-7-14)12-18(22)15-8-16(20)10-17(21)9-15;1-5(2,3)4/h2*3-10,13,20-21H,11-12H2,1-2H3;(H2,1,2,3,4)
• InChIKey: JBVHZLPYBQHUQH-UHFFFAOYSA-N

Properties

• Boiling point: 871.4°C at 760 mmHg (Cal.)
• Flash point: 480.8°C (Cal.)