2-(1-Pyrrolidiniumylmethyl)benzoate
[CAS# 876717-98-5]

Identification

• Name: 2-(1-Pyrrolidiniumylmethyl)benzoate
• Synonyms: 2-(pyrrolidinylmethyl)benzoic acid; 2-Pyrrolidin-1-ylmethylbenzoic acid; 2-Pyrrolidin-1-ylmethyl-benzoic acid
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.25
• CAS Registry Number: 876717-98-5
• SMILES: [O-]C(=O)c1ccccc1C[NH+]2CCCC2
• InChI: 1S/C12H15NO2/c14-12(15)11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2,(H,14,15)
• InChIKey: SCVGQZVBLWNGJF-UHFFFAOYSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 331.331°C at 760 mmHg (Cal.)
• Flash point: 154.184°C (Cal.)
• Refractive index: 1.596 (Cal.)

Safety Data

• Safety Description: IRRITANT