3-(Methyl-(3-Methylsulfonyloxypropyl)Amino)Propyl Methanesulfonate; 4-(4-Sulfophenyl)Benzenesulfonic Acid
[CAS# 36148-80-8]

Identification

• Name: 3-(Methyl-(3-Methylsulfonyloxypropyl)Amino)Propyl Methanesulfonate; 4-(4-Sulfophenyl)Benzenesulfonic Acid
• Synonyms: Methanesulfonic Acid 3-(Methyl-(3-Methylsulfonyloxypropyl)Amino)Propyl Ester; 4-(4-Sulfophenyl)Benzenesulfonic Acid; Nsc140115; [1,1'-Biphenyl]-4,4'-Disulfonic Acid, Compd. With (Methylimino)-Di-3,1-Propanediyl Dimethanesulfonate (1:1) (Mf1)
• Molecular Formula: C₂₁H₃₁NO₁₂S₄
• Molecular Weight: 617.72
• CAS Registry Number: 36148-80-8
• SMILES: C2=C(C1=CC=C([S](=O)(=O)O)C=C1)C=CC(=C2)[S](=O)(=O)O.C(O[S](=O)(=O)C)CCN(CCCO[S](=O)(=O)C)C
• InChI: 1S/C12H10O6S2.C9H21NO6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18;1-10(6-4-8-15-17(2,11)12)7-5-9-16-18(3,13)14/h1-8H,(H,13,14,15)(H,16,17,18);4-9H2,1-3H3
• InChIKey: VJWSKIHLIBKOBD-UHFFFAOYSA-N

Properties

• Boiling point: 883.1°C at 760 mmHg (Cal.)
• Flash point: 487.9°C (Cal.)