[(1S,4S,5R)-1,7,8,8-Tetramethyl-7-Azabicyclo[2.2.2]Octan-5-Yl] 4-Methylbenzoate
[CAS# 75479-61-7]

Identification

• Name: [(1S,4S,5R)-1,7,8,8-Tetramethyl-7-Azabicyclo[2.2.2]Octan-5-Yl] 4-Methylbenzoate
• Synonyms: 4-Methylbenzoic Acid [(1S,4S,5R)-1,7,8,8-Tetramethyl-7-Azabicyclo[2.2.2]Octan-5-Yl] Ester; Benzoic Acid, 4-Methyl-, 1,2,3,3-Tetramethyl-2-Azabicyclo(2.2.2)Oct-5-Yl Ester, (1-Alpha,4-Alpha,5-Alpha)-; 1,2,3,3-Tetramethyl-2-Azabicyclo(2.2.2)Octan-5-Trans-Ol P-Methylbenzoate
• Molecular Formula: C₁₉H₂₇NO₂
• Molecular Weight: 301.43
• CAS Registry Number: 75479-61-7
• SMILES: [C@]23(N(C([C@@H]([C@H](OC(C1=CC=C(C=C1)C)=O)C2)CC3)(C)C)C)C
• InChI: 1S/C19H27NO2/c1-13-6-8-14(9-7-13)17(21)22-16-12-19(4)11-10-15(16)18(2,3)20(19)5/h6-9,15-16H,10-12H2,1-5H3/t15-,16-,19+/m1/s1
• InChIKey: PJFNJQYJAJKSRY-MDZRGWNJSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Boiling point: 375.239°C at 760 mmHg (Cal.)
• Flash point: 114.943°C (Cal.)