2-Methyl-2-propanyl 3-[(4-cyanophenyl)sulfonyl]-1-azetidinecarboxylate
[CAS# 887586-94-9]

Identification

• Name: 2-Methyl-2-propanyl 3-[(4-cyanophenyl)sulfonyl]-1-azetidinecarboxylate
• Synonyms: 1-Azetidinecarboxylic acid, 3-[(4-cyanophenyl)sulfonyl]-, 1,1-dimethylethyl ester; 1-AZETIDINECARBOXYLICACID, 3-[(4-CYANOPHENYL)SULFONYL]-, 1,1-DIMETHYLETHYL ESTER; 2-Methyl-2-propanyl 3-[(4-cyanophenyl)sulfonyl]-1-azetidinecarboxylate
• Molecular Formula: C₁₅H₁₈N₂O₄S
• Molecular Weight: 322.38
• CAS Registry Number: 887586-94-9
• SMILES: CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)c2ccc(cc2)C#N
• InChI: 1S/C15H18N2O4S/c1-15(2,3)21-14(18)17-9-13(10-17)22(19,20)12-6-4-11(8-16)5-7-12/h4-7,13H,9-10H2,1-3H3
• InChIKey: OOUIXNAPUAPLKN-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 510.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 262.5±30.1°C (Cal.)
• Refractive index: 1.582 (Cal.)