Dibenzyl[2-[Benzyl[2-[Benzyl[2-[Dibenzylamino]Ethyl]Amino]Ethyl]Amino]Ethyl]Methylammonium Methyl Sulphate
[CAS# 82799-35-7]

Identification

• Name: Dibenzyl[2-[Benzyl[2-[Benzyl[2-[Dibenzylamino]Ethyl]Amino]Ethyl]Amino]Ethyl]Methylammonium Methyl Sulphate
• Synonyms: [1,1-Dibenzyl-3-[Benzyl-[2-[Benzyl-[2-(Dibenzylamino)Ethyl]Amino]Ethyl]Amino]Propyl]Ammonium; Methyl Sulfate; [4-[2-[2-(Bis(Phenylmethyl)Amino)Ethyl-(Phenylmethyl)Amino]Ethyl-(Phenylmethyl)Amino]-1-Phenyl-2-(Phenylmethyl)Butan-2-Yl]Azanium; Methyl Sulfate
• Molecular Formula: C₅₀H₆₀N₄O₄S
• Molecular Weight: 813.11
• CAS Registry Number: 82799-35-7
• EINECS: 280-034-2
• SMILES: CO[S]([O-])(=O)=O.C6=C(CC([NH3+])(CCN(CCN(CCN(CC1=CC=CC=C1)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)C=CC=C6
• InChI: 1S/C49H56N4.CH4O4S/c50-49(37-43-19-7-1-8-20-43,38-44-21-9-2-10-22-44)31-32-51(39-45-23-11-3-12-24-45)33-34-52(40-46-25-13-4-14-26-46)35-36-53(41-47-27-15-5-16-28-47)42-48-29-17-6-18-30-48;1-5-6(2,3)4/h1-30H,31-42,50H2;1H3,(H,2,3,4)
• InChIKey: TYPCIMZLGKORFJ-UHFFFAOYSA-N

Properties

• Boiling point: 876.2°C at 760 mmHg (Cal.)
• Flash point: 483.7°C (Cal.)