3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoic Acid
[CAS# 4252-25-9]

Identification

• Name: 3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoic Acid
• Synonyms: 3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propionic Acid; Benzenepropanoic Acid, 3-[Bis(2-Chloroethyl)Amino]-; Hydrocinnamic Acid, M-[Bis(2-Chloroethyl)Amino]-
• Molecular Formula: C₁₃H₁₇Cl₂NO₂
• Molecular Weight: 290.19
• CAS Registry Number: 4252-25-9
• SMILES: C1=CC=C(C=C1CCC(O)=O)N(CCCl)CCCl
• InChI: 1S/C13H17Cl2NO2/c14-6-8-16(9-7-15)12-3-1-2-11(10-12)4-5-13(17)18/h1-3,10H,4-9H2,(H,17,18)
• InChIKey: DZZLSUVOCHEQJL-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 453.581°C at 760 mmHg (Cal.)
• Flash point: 228.118°C (Cal.)