2-Methyl-2-propanyl 3-[(3-cyanophenyl)sulfonyl]-1-azetidinecarboxylate
[CAS# 887593-72-8]

Identification

• Name: 2-Methyl-2-propanyl 3-[(3-cyanophenyl)sulfonyl]-1-azetidinecarboxylate
• Synonyms: 1-Azetidinecarboxylic acid, 3-[(3-cyanophenyl)sulfonyl]-, 1,1-dimethylethyl ester; 1-AZETIDINECARBOXYLICACID, 3-[(3-CYANOPHENYL)SULFONYL]-, 1,1-DIMETHYLETHYL ESTER; 2-Methyl-2-propanyl 3-[(3-cyanophenyl)sulfonyl]-1-azetidinecarboxylate
• Molecular Formula: C₁₅H₁₈N₂O₄S
• Molecular Weight: 322.38
• CAS Registry Number: 887593-72-8
• SMILES: CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)c2cccc(c2)C#N
• InChI: 1S/C15H18N2O4S/c1-15(2,3)21-14(18)17-9-13(10-17)22(19,20)12-6-4-5-11(7-12)8-16/h4-7,13H,9-10H2,1-3H3
• InChIKey: XTNHGYVXPJTTQY-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 505.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 259.5±30.1°C (Cal.)
• Refractive index: 1.582 (Cal.)