| CAS Number | 2030-37-7 |
| Catalog Number | AG0028NF(AGN-PC-0WACS9) |
| Chemical Name | rac-(3aR,6aR)-octahydrocyclopenta[b]pyrrole |
| IUPAC Name | (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole |
| InChI | InChI=1S/C7H13N/c1-2-6-4-5-8-7(6)3-1/h6-8H,1-5H2/t6-,7-/m1/s1 |
| InChI Key | ADKDJHASTPQGEO-RNFRBKRXSA-N |
| MDL Number | MFCD29078481 |
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1848 |
| SMILES | C1C[C@@H]2[C@@H](CCN2)C1 |
| Synonyms | 2030-37-7,
SCHEMBL10591233,
ZINC39220730,
AKOS006352887,
(1R,5R)-2-Azabicyclo[3.3.0]octane,
Cyclopenta[b]pyrrole, octahydro-, (3aR,6aR)-rel-,
CID10986179,
(1R,5R)-4-azabicyclo[3.3.0]octane,
Cis-octahydro-Cyclopenta[b]pyrrole hydrochloride,
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| Complexity | 90.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.188g/mol |
| Monoisotopic Mass | 111.105g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number