3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-Formamidopropanoic Acid
[CAS# 35849-41-3]

Identification

• Name: 3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-Formamidopropanoic Acid
• Synonyms: 3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-Formamido-Propanoic Acid; 3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-2-Formamido-Propionic Acid; Alanine, 3-(P-(Bis(2-Chloroethyl)Amino)Phenyl)-N-Formyl-, L-
• Molecular Formula: C₁₄H₁₈Cl₂N₂O₃
• Molecular Weight: 333.21
• CAS Registry Number: 35849-41-3
• SMILES: C1=CC(=CC=C1N(CCCl)CCCl)CC(NC=O)C(O)=O
• InChI: 1S/C14H18Cl2N2O3/c15-5-7-18(8-6-16)12-3-1-11(2-4-12)9-13(14(20)21)17-10-19/h1-4,10,13H,5-9H2,(H,17,19)(H,20,21)
• InChIKey: ZPOLNCDBPYJDSE-UHFFFAOYSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 580.08°C at 760 mmHg (Cal.)
• Flash point: 304.622°C (Cal.)