2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Ethyl (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-Tetraenoate
[CAS# 130676-89-0]

Identification

• Name: 2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Ethyl (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-Tetraenoate
• Synonyms: (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-Tetraenoic Acid 2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxobutoxy]Ethyl Ester; (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-Tetraenoic Acid 2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Ethyl Ester; Benzenebutanoic Acid, 4-(Bis(2-Chloroethyl)Amino)-, 2-((1-Oxo-5,8,11,14-Eicosatetraenyl)Oxy)Ethyl Ester, (All-Z)-
• Molecular Formula: C₃₆H₅₃Cl₂NO₄
• Molecular Weight: 634.73
• CAS Registry Number: 130676-89-0
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)CCCC(OCCOC(=O)CCC\C=C/C/C=C\C\C=C/C/C=C\CCCCC)=O
• InChI: 1S/C36H53Cl2NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35(40)42-31-32-43-36(41)22-19-20-33-23-25-34(26-24-33)39(29-27-37)30-28-38/h6-7,9-10,12-13,15-16,23-26H,2-5,8,11,14,17-22,27-32H2,1H3/b7-6-,10-9-,13-12-,16-15-
• InChIKey: VUFNLQXQSDUXKB-DOFZRALJSA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 691.858°C at 760 mmHg (Cal.)
• Flash point: 372.222°C (Cal.)