[[4-(4-Chlorophenyl)Sulfanylphenyl]-Methyl-Carbamoyl]Methyl-Diethyl-Azanium 2-Hydroxy-2-Oxo-Acetate
[CAS# 101651-67-6]

Identification

• Name: [[4-(4-Chlorophenyl)Sulfanylphenyl]-Methyl-Carbamoyl]Methyl-Diethyl-Azanium 2-Hydroxy-2-Oxo-Acetate
• Synonyms: [2-[[4-(4-Chlorophenyl)Sulfanylphenyl]-Methyl-Amino]-2-Oxo-Ethyl]-Diethyl-Ammonium; 2-Hydroxy-2-Oxo-Acetate; [2-[[4-[(4-Chlorophenyl)Thio]Phenyl]-Methylamino]-2-Oxoethyl]-Diethylammonium; 2-Hydroxy-2-Oxoacetate; [2-[[4-[(4-Chlorophenyl)Thio]Phenyl]-Methyl-Amino]-2-Keto-Ethyl]-Diethyl-Ammonium Bioxalate
• Molecular Formula: C₂₁H₂₅ClN₂O₅S
• Molecular Weight: 452.95
• CAS Registry Number: 101651-67-6
• SMILES: C1=C(N(C(=O)C[NH+](CC)CC)C)C=CC(=C1)SC2=CC=C(Cl)C=C2.O=C([O-])C(=O)O
• InChI: 1S/C19H23ClN2OS.C2H2O4/c1-4-22(5-2)14-19(23)21(3)16-8-12-18(13-9-16)24-17-10-6-15(20)7-11-17;3-1(4)2(5)6/h6-13H,4-5,14H2,1-3H3;(H,3,4)(H,5,6)
• InChIKey: CSBQUHDTOUATGO-UHFFFAOYSA-N

Properties

• Boiling point: 502.4°C at 760 mmHg (Cal.)
• Flash point: 257.6°C (Cal.)