2-(1,4-Diazepan-1-Yl)-5-Propylbenzenesulfonic Acid
[CAS# 133804-52-1]

Identification

• Name: 2-(1,4-Diazepan-1-Yl)-5-Propylbenzenesulfonic Acid
• Synonyms: 2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonicacid
• Molecular Formula: C₁₄H₂₂N₂O₃S
• Molecular Weight: 298.40
• CAS Registry Number: 133804-52-1
• SMILES: O=S(=O)(O)c1c(ccc(c1)CCC)N2CCCNCC2
• InChI: 1S/C14H22N2O3S/c1-2-4-12-5-6-13(14(11-12)20(17,18)19)16-9-3-7-15-8-10-16/h5-6,11,15H,2-4,7-10H2,1H3,(H,17,18,19)
• InChIKey: NGNBMODIBJBTLS-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Refractive index: 1.556 (Cal.)