2-Amino-3-[4-[4-[Bis(2-Chloroethyl)Amino]Phenoxy]Phenyl]Propanoic Acid
[CAS# 857-95-4]

Identification

• Name: 2-Amino-3-[4-[4-[Bis(2-Chloroethyl)Amino]Phenoxy]Phenyl]Propanoic Acid
• Synonyms: 2-Amino-3-[4-[4-[Bis(2-Chloroethyl)Amino]Phenoxy]Phenyl]Propionic Acid; 4-(4-Bis(2-Chloroethyl)Aminophenoxy)Phenylalanine; Alanine, 3-(P-(P-(Bis(2-Chloroethyl)Amino)Phenoxy)Phenyl)-, Dl-
• Molecular Formula: C₁₉H₂₂Cl₂N₂O₃
• Molecular Weight: 397.30
• CAS Registry Number: 857-95-4
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)OC2=CC=C(CC(C(O)=O)N)C=C2
• InChI: 1S/C19H22Cl2N2O3/c20-9-11-23(12-10-21)15-3-7-17(8-4-15)26-16-5-1-14(2-6-16)13-18(22)19(24)25/h1-8,18H,9-13,22H2,(H,24,25)
• InChIKey: IDJLCKJFVNGXOP-UHFFFAOYSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 562.883°C at 760 mmHg (Cal.)
• Flash point: 294.221°C (Cal.)