2-[(4-{4-[Bis(2-chloroethyl)amino]phenyl}butanoyl)oxy]-1,3-propanediyl dihexadecanoate
[CAS# 85763-07-1]

Identification

• Name: 2-[(4-{4-[Bis(2-chloroethyl)amino]phenyl}butanoyl)oxy]-1,3-propanediyl dihexadecanoate
• Synonyms: 1,3-dipalmitoyl-2-(4-(bis(2-chloroethyl)amino)benzenebutanoyl)glycerol; 1,3-DP-Chlorambucil; Hexadecanoic acid 2-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-butyryloxy)-3-hexadecanoyloxy-propyl ester
• Molecular Formula: C₄₉H₈₅Cl₂NO₆
• Molecular Weight: 855.11
• CAS Registry Number: 85763-07-1
• SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
• InChI: 1S/C49H85Cl2NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-47(53)56-42-46(43-57-48(54)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-49(55)33-29-30-44-34-36-45(37-35-44)52(40-38-50)41-39-51/h34-37,46H,3-33,38-43H2,1-2H3
• InChIKey: ONYSZSAXTDHFPL-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 806.7±65.0°C at 760 mmHg (Cal.)
• Flash point: 441.7±34.3°C (Cal.)