Ethyl 2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]-4-Methylpentanoate
[CAS# 3577-89-7]

Identification

• Name: Ethyl 2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]-4-Methylpentanoate
• Synonyms: Ethyl 2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]-4-Methyl-Pentanoate; 2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxopropyl]Amino]-4-Methylpentanoic Acid Ethyl Ester; 2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]-4-Methyl-Valeric Acid Ethyl Ester
• Molecular Formula: C₂₃H₃₅Cl₂N₃O₄
• Molecular Weight: 488.45
• CAS Registry Number: 3577-89-7
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)CC(C(NC(C(OCC)=O)CC(C)C)=O)NC(C)=O
• InChI: 1S/C23H35Cl2N3O4/c1-5-32-23(31)21(14-16(2)3)27-22(30)20(26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)
• InChIKey: GBPZYMBDOBODNK-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 686.673°C at 760 mmHg (Cal.)
• Flash point: 369.087°C (Cal.)