3-(Mercaptomethyl)-2-Oxo-1-Piperidineacetic Acid
[CAS# 80900-78-3]

Identification

• Name: 3-(Mercaptomethyl)-2-Oxo-1-Piperidineacetic Acid
• Synonyms: 2-[2-Oxo-3-(Sulfanylmethyl)-1-Piperidyl]Acetic Acid; 2-[3-(Mercaptomethyl)-2-Oxo-1-Piperidinyl]Acetic Acid; 2-[2-Keto-3-(Mercaptomethyl)-1-Piperidyl]Acetic Acid
• Molecular Formula: C₈H₁₃NO₃S
• Molecular Weight: 203.26
• CAS Registry Number: 80900-78-3
• SMILES: C(C(O)=O)N1CCCC(CS)C1=O
• InChI: 1S/C8H13NO3S/c10-7(11)4-9-3-1-2-6(5-13)8(9)12/h6,13H,1-5H2,(H,10,11)
• InChIKey: YQRNEFFCJKUMIN-UHFFFAOYSA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 447.926°C at 760 mmHg (Cal.)
• Flash point: 224.698°C (Cal.)