3-(3-Hydroxyphenyl)-5-((Methylmercapto)Methyl)-N-N-Propylpiperidine
[CAS# 97000-20-9]

Identification

• Name: 3-(3-Hydroxyphenyl)-5-((Methylmercapto)Methyl)-N-N-Propylpiperidine
• Synonyms: 3-[(3R,5R)-5-(Methylsulfanylmethyl)-1-Propyl-3-Piperidyl]Phenol; 3-[(3R,5R)-5-[(Methylthio)Methyl]-1-Propyl-3-Piperidinyl]Phenol; 3-[(3R,5R)-5-[(Methylthio)Methyl]-1-Propyl-3-Piperidyl]Phenol
• Molecular Formula: C₁₆H₂₅NOS
• Molecular Weight: 279.44
• CAS Registry Number: 97000-20-9
• SMILES: [C@H]1(CN(C[C@@H](C1)CSC)CCC)C2=CC=CC(=C2)O
• InChI: 1S/C16H25NOS/c1-3-7-17-10-13(12-19-2)8-15(11-17)14-5-4-6-16(18)9-14/h4-6,9,13,15,18H,3,7-8,10-12H2,1-2H3/t13-,15+/m1/s1
• InChIKey: SPUJNUMTARGTRY-HIFRSBDPSA-N

Properties

• Density: 1.052g/cm³ (Cal.)
• Boiling point: 414.881°C at 760 mmHg (Cal.)
• Flash point: 204.713°C (Cal.)