2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Ethyl (2E,4E,6E,8E,10E,12E)-Docosa-2,4,6,8,10,12-Hexaenoate
[CAS# 130388-13-5]

Identification

• Name: 2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Ethyl (2E,4E,6E,8E,10E,12E)-Docosa-2,4,6,8,10,12-Hexaenoate
• Synonyms: (2E,4E,6E,8E,10E,12E)-Docosa-2,4,6,8,10,12-Hexaenoic Acid 2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxobutoxy]Ethyl Ester; (2E,4E,6E,8E,10E,12E)-Docosa-2,4,6,8,10,12-Hexaenoic Acid 2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Ethyl Ester; Benzenebutanoic Acid, 4-(Bis(2-Chloroethyl)Amino)-, 2-((1-Oxodocosahexaenyl)Oxy)Ethyl Ester
• Molecular Formula: C₃₈H₅₃Cl₂NO₄
• Molecular Weight: 658.75
• CAS Registry Number: 130388-13-5
• SMILES: C1=CC(=CC=C1CCCC(=O)OCCOC(\C=C\C=C\C=C\C=C\C=C\C=C\CCCCCCCCC)=O)N(CCCl)CCCl
• InChI: 1S/C38H53Cl2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-37(42)44-33-34-45-38(43)24-21-22-35-25-27-36(28-26-35)41(31-29-39)32-30-40/h10-20,23,25-28H,2-9,21-22,24,29-34H2,1H3/b11-10+,13-12+,15-14+,17-16+,19-18+,23-20+
• InChIKey: UDQDXYKYBHKBTI-IZDIIYJESA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 757.517°C at 760 mmHg (Cal.)
• Flash point: 411.932°C (Cal.)