2-Hydroxy-3-(isopropylamino)propyl 4-methylbenzenesulfonate
[CAS# 79881-85-9]

Identification

• Name: 2-Hydroxy-3-(isopropylamino)propyl 4-methylbenzenesulfonate
• Synonyms: 2-hydroxy-3-[(1-methylethyl)amino]propyl (4-methylbenzenesulphonate)
• Molecular Formula: C₁₃H₂₁NO₄S
• Molecular Weight: 287.38
• CAS Registry Number: 79881-85-9
• EINECS: 279-332-5
• SMILES: Cc1ccc(cc1)S(=O)(=O)OCC(O)CNC(C)C
• InChI: 1S/C13H21NO4S/c1-10(2)14-8-12(15)9-18-19(16,17)13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3
• InChIKey: JKDBIWMKHJPVEV-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 449.87°C at 760 mmHg (Cal.)
• Flash point: 225.874°C (Cal.)