Hexyl 6-Aminohexanoate 4-Methylbenzenesulfonate (1:1)
[CAS# 1926-86-9]

Identification

• Classification: Organic raw materials >> Amino compound >> Sulfonic acid amino compound
• Name: Hexyl 6-Aminohexanoate 4-Methylbenzenesulfonate (1:1)
• Synonyms: Hexyl 6-Aminohexanoate p-Toluenesulfonate
• Molecular Formula: C₁₉H₃₃NO₅S
• Molecular Weight: 387.53
• CAS Registry Number: 1926-86-9
• SMILES: CCCCCCOC(=O)CCCCCN.Cc1ccc(cc1)S(=O)(=O)O
• InChI: 1S/C12H25NO2.C7H8O3S/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H2,1H3;2-5H,1H3,(H,8,9,10)
• InChIKey: RVALTWBPTNLNAV-UHFFFAOYSA-N

Properties

• Melting point: 96°C (Expl.)
• Refractive index: (Cal.)