beta-Amino-4-[Bis(2-Chloroethyl)Amino]Benzenepropanoic Acid
[CAS# 1952-98-3]

Identification

• Name: beta-Amino-4-[Bis(2-Chloroethyl)Amino]Benzenepropanoic Acid
• Synonyms: 3-Amino-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propionic Acid; 3-(P-(Bis(2-Chloroethyl)Amino)Phenyl)-Beta-Alanine; 4-14-00-01686 (Beilstein Handbook Reference)
• Molecular Formula: C₁₃H₁₈Cl₂N₂O₂
• Molecular Weight: 305.20
• CAS Registry Number: 1952-98-3
• SMILES: C1=CC(=CC=C1N(CCCl)CCCl)C(CC(O)=O)N
• InChI: 1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)12(16)9-13(18)19/h1-4,12H,5-9,16H2,(H,18,19)
• InChIKey: LUZAMFFYXAEQAY-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 479.159°C at 760 mmHg (Cal.)
• Flash point: 243.587°C (Cal.)