2-Amino-5-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Amino]-5-Oxopentanoic Acid
[CAS# 3331-00-8]

Identification

• Name: 2-Amino-5-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Amino]-5-Oxopentanoic Acid
• Synonyms: 2-Amino-5-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Amino]-5-Oxo-Pentanoic Acid; 2-Amino-5-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Amino]-5-Keto-Valeric Acid; Nsc240750
• Molecular Formula: C₁₅H₂₁Cl₂N₃O₃
• Molecular Weight: 362.26
• CAS Registry Number: 3331-00-8
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)NC(CCC(C(=O)O)N)=O
• InChI: 1S/C15H21Cl2N3O3/c16-7-9-20(10-8-17)12-3-1-11(2-4-12)19-14(21)6-5-13(18)15(22)23/h1-4,13H,5-10,18H2,(H,19,21)(H,22,23)
• InChIKey: DQWJBOSCWQUFRX-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 625.739°C at 760 mmHg (Cal.)
• Flash point: 332.235°C (Cal.)