4-[Isopropylthio]-alpha-[1-(Octylamino)Ethyl]Benzyl Alcohol Hydrochloride
[CAS# 60175-02-2]

Identification

• Name: 4-[Isopropylthio]-alpha-[1-(Octylamino)Ethyl]Benzyl Alcohol Hydrochloride
• Synonyms: 1-(4-Isopropylsulfanylphenyl)-2-(Octylamino)Propan-1-Ol Hydrochloride; 1-[4-(Isopropylthio)Phenyl]-2-(Octylamino)Propan-1-Ol Hydrochloride; (R*,S*)-4-(Isopropylthio)-Alpha-(1-(Octylamino)Ethyl)Benzyl Alcohol Hydrochloride
• Molecular Formula: C₂₀H₃₆ClNOS
• Molecular Weight: 374.02
• CAS Registry Number: 60175-02-2 (54767-71-4;54767-74-7)
• EINECS: 262-096-2
• SMILES: [H+].C1=C(C(O)C(NCCCCCCCC)C)C=CC(=C1)SC(C)C.[Cl-]
• InChI: 1S/C20H35NOS.ClH/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3;/h11-14,16-17,20-22H,5-10,15H2,1-4H3;1H
• InChIKey: JRJJHIUHSILDOH-UHFFFAOYSA-N

Properties

• Boiling point: 467.3°C at 760 mmHg (Cal.)
• Flash point: 236.4°C (Cal.)