| CAS Number | 130194-96-6 |
| Catalog Number | AG00A7RJ(AGN-PC-0PJ5YB) |
| Chemical Name | Methyl (1S,3S,4R)-2-((1R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate |
| EC Number | 807-723-8 |
| IUPAC Name | methyl (1S,4S)-2-(1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate |
| InChI | InChI=1S/C16H19NO2/c1-11(12-6-4-3-5-7-12)17-14-9-8-13(10-14)15(17)16(18)19-2/h3-9,11,13-15H,10H2,1-2H3/t11?,13-,14-,15?/m1/s1 |
| InChI Key | PWUWUKQPSOGOPL-INTODGSJSA-N |
| MDL Number | MFCD28404584 |
| Molecular Formula | C16H19NO2 |
| Molecular Weight | 257.3276 |
| SMILES | [C@H](C)(N1[C@H](C(OC)=O)[C@@]2(C[C@]1(C=C2)[H])[H])C3=CC=CC=C3 |
| Synonyms | (1S,3S,4R)-Methyl 2-((R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate,
130194-96-6,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.333g/mol |
| Monoisotopic Mass | 257.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Lot Number