Benzilylcholine Mustard
[CAS# 5746-42-9]

Identification

• Name: Benzilylcholine Mustard
• Synonyms: 2-(2-Chloroethyl-Methyl-Amino)Ethyl 2-Hydroxy-2,2-Di(Phenyl)Acetate; 2-Hydroxy-2,2-Di(Phenyl)Acetic Acid 2-(2-Chloroethyl-Methylamino)Ethyl Ester; 2-Hydroxy-2,2-Di(Phenyl)Acetic Acid 2-(2-Chloroethyl-Methyl-Amino)Ethyl Ester
• Molecular Formula: C₁₉H₂₂ClNO₃
• Molecular Weight: 347.84
• CAS Registry Number: 5746-42-9
• SMILES: C1=CC=CC=C1C(C(=O)OCCN(CCCl)C)(C2=CC=CC=C2)O
• InChI: 1S/C19H22ClNO3/c1-21(13-12-20)14-15-24-18(22)19(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,23H,12-15H2,1H3
• InChIKey: QMMKHOXGBKDMKE-UHFFFAOYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 407.258°C at 760 mmHg (Cal.)
• Flash point: 200.103°C (Cal.)