3-[[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Methyl]Sulfonyl]-L-Alanine
[CAS# 6940-98-3]

Identification

• Name: 3-[[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Methyl]Sulfonyl]-L-Alanine
• Synonyms: 2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]Benzyl]Sulfonyl-Propionic Acid; 3-(P-(Bis(2-Chloroethyl)Amino)Benzylsulfonyl)-L-Alanine; 3-P-Bis(2-Chloroethyl)Amino Benzylsulfonyl-L-Alanine
• Molecular Formula: C₁₄H₂₀Cl₂N₂O₄S
• Molecular Weight: 383.29
• CAS Registry Number: 6940-98-3
• SMILES: C1=CC(=CC=C1N(CCCl)CCCl)C[S](CC(C(O)=O)N)(=O)=O
• InChI: 1S/C14H20Cl2N2O4S/c15-5-7-18(8-6-16)12-3-1-11(2-4-12)9-23(21,22)10-13(17)14(19)20/h1-4,13H,5-10,17H2,(H,19,20)
• InChIKey: YDMMNUBREJUGOU-UHFFFAOYSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 637.381°C at 760 mmHg (Cal.)
• Flash point: 339.276°C (Cal.)