[2-[(2S)-2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Oxy-3-Hexadecanoyloxypropyl] Hexadecanoate
[CAS# 144558-52-1]

Identification

• Name: [2-[(2S)-2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Oxy-3-Hexadecanoyloxypropyl] Hexadecanoate
• Synonyms: [2-[(2S)-2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Oxy-3-Hexadecanoyloxy-Propyl] Hexadecanoate; Hexadecanoic Acid [2-[(2S)-2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxopropoxy]-3-(1-Oxohexadecoxy)Propyl] Ester; Palmitic Acid [2-[(2S)-2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Oxy-3-Hexadecanoyloxy-Propyl] Ester
• Molecular Formula: C₄₈H₈₄Cl₂N₂O₆
• Molecular Weight: 856.11
• CAS Registry Number: 144558-52-1
• SMILES: [C@H](C(=O)OC(COC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(N)CC1=CC=C(C=C1)N(CCCl)CCCl
• InChI: 1S/C48H84Cl2N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-46(53)56-40-44(41-57-47(54)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-48(55)45(51)39-42-31-33-43(34-32-42)52(37-35-49)38-36-50/h31-34,44-45H,3-30,35-41,51H2,1-2H3/t45-/m0/s1
• InChIKey: NBKIVYGYYZKPLC-GWHBCOKCSA-N

Properties

• Density: 1.038g/cm³ (Cal.)
• Boiling point: 813.705°C at 760 mmHg (Cal.)
• Flash point: 445.913°C (Cal.)