50370-54-2
(1R,2R,3S,5S)-8-METHYL-3-PHENYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
Name(1R,2R,3S,5S)-8-METHYL-3-PHENYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
(1R,2R,3S,5S)-8-METHYL-3-PHENYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09833719
【English Synonyms】
【Formula】
C16 H21 N O2
【MolWeight】
259.347
【Inchi】
InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15+/m0/s1
【InChIKey】
InChIKey=OMBOXYLBBHNWHL-GBJTYRQASA-N
【SMILES】
CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)c3ccccc3)C(=O)OC
【MOL File】
(1R,2R,3S,5S)-8-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1R,2R,3S,5S)-8-METHYL-3-PHENYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER.cml