1-Methyl-5-(3-Pyridinyl)-2-Pyrrolidinone
[CAS# 15569-85-4]

Identification

• Name: 1-Methyl-5-(3-Pyridinyl)-2-Pyrrolidinone
• Synonyms: (-)-Cotinine; (S)-(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone; (S)-(-)-Cotinine
• Molecular Formula: C₁₀H₁₂N₂O
• Molecular Weight: 176.22
• CAS Registry Number: 15569-85-4
• SMILES: CN1C(CCC1=O)C2=CN=CC=C2
• InChI: 1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
• InChIKey: UIKROCXWUNQSPJ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 34-39°C (Expl.)
• Boiling point: 316.034°C at 760 mmHg (Cal.)
• Flash point: 166.7±25.9°C (Cal.)
• Refractive index: 1.556 (Cal.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R22;R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates skin and eyes, harmful if swallowed