| CAS Number | 1053170-20-9 |
| Catalog Number | AG01BA8R |
| Chemical Name | 3-phenyloctahydrocyclopenta[b]pyrrole |
| IUPAC Name | 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole |
| InChI | InChI=1S/C13H17N/c1-2-5-10(6-3-1)12-9-14-13-8-4-7-11(12)13/h1-3,5-6,11-14H,4,7-9H2 |
| InChI Key | ANUWJZVDTUHQRB-UHFFFAOYSA-N |
| MDL Number | MFCD09035108 |
| Molecular Formula | C13H17N |
| Molecular Weight | 187.2808 |
| SMILES | C1CC2C(NCC2C2=CC=CC=C2)C1 |
| Synonyms | 3-phenyl-octahydrocyclopenta[b]pyrrole,
1053170-20-9,
AKOS004123064,
Z2050724994,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.286g/mol |
| Monoisotopic Mass | 187.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number