2-Amino-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoic Acid
[CAS# 1088-80-8]

Identification

• Name: 2-Amino-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoic Acid
• Synonyms: 2-Amino-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propionic Acid; 3-(Bis(2-Chloroethyl)Amino)-Dl-Phenylalanine; 3-(M-(Bis(2-Chloroethyl)Amino)Phenyl)-Dl-Alanine
• Molecular Formula: C₁₃H₁₈Cl₂N₂O₂
• Molecular Weight: 305.20
• CAS Registry Number: 1088-80-8
• SMILES: C1=C(C=CC=C1N(CCCl)CCCl)CC(C(O)=O)N
• InChI: 1S/C13H18Cl2N2O2/c14-4-6-17(7-5-15)11-3-1-2-10(8-11)9-12(16)13(18)19/h1-3,8,12H,4-7,9,16H2,(H,18,19)
• InChIKey: QDGAVODICPCDMU-UHFFFAOYSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 479.669°C at 760 mmHg (Cal.)
• Flash point: 243.895°C (Cal.)