2-hydroxybenzoic acid,3-[1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
[CAS# 65636-94-4]

Identification

• Name: 2-hydroxybenzoic acid,3-[1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
• Synonyms: (±)-NICOTINE-D3 SALICYLATE SALT; 1-(Methyl-d3)-2-(3-pyridyl)pyrrolidine; N5768_SIGMA
• Molecular Formula: C₁₇H₁₇D₃N₂O₃
• Molecular Weight: 303.37
• CAS Registry Number: 65636-94-4
• SMILES: [2H]C([2H])([2H])N2C(c1cnccc1)CCC2.O=C(O)c1ccccc1O
• InChI: 1S/C10H14N2.C7H6O3/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;8-6-4-2-1-3-5(6)7(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-4,8H,(H,9,10)/i1D3
• InChIKey: AIBWPBUAKCMKNS-NIIDSAIPSA-N

Properties

• Boiling point: 478.6°C at 760 mmHg (Cal.)
• Flash point: 243.2°C (Cal.)