N-[3-Bis(2-Chloroethyl)Amino-4-Methylbenzoyl]Glycine Sodium Salt
[CAS# 52616-26-9]

Identification

• Name: N-[3-Bis(2-Chloroethyl)Amino-4-Methylbenzoyl]Glycine Sodium Salt
• Synonyms: Sodium 2-[[3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoyl]Amino]Acetate; Sodium 2-[[[3-[Bis(2-Chloroethyl)Amino]-4-Methylphenyl]-Oxomethyl]Amino]Acetate; Sodium 2-[[3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Phenyl]Carbonylamino]Ethanoate
• Molecular Formula: C₁₄H₁₇Cl₂N₂NaO₃
• Molecular Weight: 355.20
• CAS Registry Number: 52616-26-9
• SMILES: C1=C(N(CCCl)CCCl)C(=CC=C1C(=O)NCC([O-])=O)C.[Na+]
• InChI: 1S/C14H18Cl2N2O3.Na/c1-10-2-3-11(14(21)17-9-13(19)20)8-12(10)18(6-4-15)7-5-16;/h2-3,8H,4-7,9H2,1H3,(H,17,21)(H,19,20);/q;+1/p-1
• InChIKey: LYOMMGYLWUESDC-UHFFFAOYSA-M

Properties

• Boiling point: 522.5°C at 760 mmHg (Cal.)
• Flash point: 269.8°C (Cal.)