(2S)-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-[[2-(4-Hydroxyphenoxy)Acetyl]Amino]Propanoic Acid
[CAS# 131089-09-3]

Identification

• Name: (2S)-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-[[2-(4-Hydroxyphenoxy)Acetyl]Amino]Propanoic Acid
• Synonyms: (2S)-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-[[2-(4-Hydroxyphenoxy)-1-Oxoethyl]Amino]Propanoic Acid; (2S)-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-[[2-(4-Hydroxyphenoxy)Acetyl]Amino]Propionic Acid; (2S)-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-[2-(4-Hydroxyphenoxy)Ethanoylamino]Propanoic Acid
• Molecular Formula: C₂₁H₂₄Cl₂N₂O₅
• Molecular Weight: 455.34
• CAS Registry Number: 131089-09-3
• SMILES: [C@H](NC(COC1=CC=C(O)C=C1)=O)(CC2=CC=C(C=C2)N(CCCl)CCCl)C(O)=O
• InChI: 1S/C21H24Cl2N2O5/c22-9-11-25(12-10-23)16-3-1-15(2-4-16)13-19(21(28)29)24-20(27)14-30-18-7-5-17(26)6-8-18/h1-8,19,26H,9-14H2,(H,24,27)(H,28,29)/t19-/m0/s1
• InChIKey: ZVHIURZYHWNOKI-IBGZPJMESA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 738.843°C at 760 mmHg (Cal.)
• Flash point: 400.638°C (Cal.)