1-[(1R,2S,3S,5S)-8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Octan-2-Yl]Propan-1-One
[CAS# 152783-29-4]

Identification

• Name: 1-[(1R,2S,3S,5S)-8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Octan-2-Yl]Propan-1-One
• Synonyms: 1-(8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo(3.2.1)Oct-2-Yl)-1-Propanone (1R-(Exo,Exo))-; 1-Propanone, 1-(8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo(3.2.1)Oct-2-Yl)-, (1R-(Exo,Exo))-; 2-Ptt
• Molecular Formula: C₁₈H₂₅NO
• Molecular Weight: 271.40
• CAS Registry Number: 152783-29-4
• SMILES: [C@H]13N([C@H](C[C@@H]([C@@H]1C(=O)CC)C2=CC=C(C=C2)C)CC3)C
• InChI: 1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3/t14-,15+,16+,18-/m0/s1
• InChIKey: PZEAJTAVRYLBTK-LHHMISFZSA-N

Properties

• Density: 1.035g/cm³ (Cal.)
• Boiling point: 389.135°C at 760 mmHg (Cal.)
• Flash point: 137.761°C (Cal.)