(3S)-4-[(1R,4R)-7-Hydroxy-3-Methyl-3-Azabicyclo[2.2.2]Octan-7-Yl]-3-Methylbutanoic Acid
[CAS# 128637-87-6]

Identification

• Name: (3S)-4-[(1R,4R)-7-Hydroxy-3-Methyl-3-Azabicyclo[2.2.2]Octan-7-Yl]-3-Methylbutanoic Acid
• Synonyms: (3S)-4-[(1R,4R)-7-Hydroxy-3-Methyl-3-Azabicyclo[2.2.2]Octan-7-Yl]-3-Methyl-Butanoic Acid; (3S)-4-[(1R,4R)-7-Hydroxy-3-Methyl-3-Azabicyclo[2.2.2]Octan-7-Yl]-3-Methyl-Butyric Acid; 2-Azabicyclo(2.2.2)Octane-5-Butanoic Acid, 5-Hydroxy-Beta,2-Dimethyl-, (1R-(1Alpha,4Alpha,5Alpha,5(S*)))-
• Molecular Formula: C₁₃H₂₃NO₃
• Molecular Weight: 241.33
• CAS Registry Number: 128637-87-6
• SMILES: [C@H]12C(O)(C[C@H](N(C1)C)CC2)C[C@@H](CC(=O)O)C
• InChI: 1S/C13H23NO3/c1-9(5-12(15)16)6-13(17)7-11-4-3-10(13)8-14(11)2/h9-11,17H,3-8H2,1-2H3,(H,15,16)/t9-,10-,11-,13?/m1/s1
• InChIKey: YWVYEZNFPRWGMM-RUPPFBPSSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 409.186°C at 760 mmHg (Cal.)
• Flash point: 201.269°C (Cal.)