1-(4-Hydroxyphenyl)-2-(3'-phenylthiopropylamino)-1-propanol
[CAS# 57476-29-6]

Identification

• Name: 1-(4-Hydroxyphenyl)-2-(3'-phenylthiopropylamino)-1-propanol
• Synonyms: [3-Hydroxy-3-(4-Hydroxyphenyl)Propyl]-(3-Phenylsulfanylpropyl)Ammonium Chloride; [3-Hydroxy-3-(4-Hydroxyphenyl)Propyl]-[3-(Phenylthio)Propyl]Ammonium Chloride; Benzenemethanol, 4-Hydroxy-Alpha-(1-((3-(Phenylthio)Propyl)Amino)Ethyl)-, Hydrochloride
• Molecular Formula: C₁₈H₂₄ClNO₂S
• Molecular Weight: 353.91
• CAS Registry Number: 57476-29-6
• SMILES: C2=C(C(O)CC[NH2+]CCCSC1=CC=CC=C1)C=CC(=C2)O.[Cl-]
• InChI: 1S/C18H23NO2S.ClH/c20-16-9-7-15(8-10-16)18(21)11-13-19-12-4-14-22-17-5-2-1-3-6-17;/h1-3,5-10,18-21H,4,11-14H2;1H
• InChIKey: PDPDJLXMNDIZMR-UHFFFAOYSA-N

Properties

• Boiling point: 519.6°C at 760 mmHg (Cal.)
• Flash point: 268°C (Cal.)