| CAS Number | 1229428-51-6 |
| Catalog Number | AG00HH5M(AGN-PC-0WR1ZN) |
| Chemical Name | tert-butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-6-carboxylate |
| IUPAC Name | tert-butyl (4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-4-6-13-10(9)8-14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1 |
| InChI Key | LPNOEYLQBVUWGH-VHSXEESVSA-N |
| MDL Number | MFCD18384928 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | C(OC(C)(C)C)(=O)N1C[C@]2([C@@](C1)(NCCC2)[H])[H] |
| Synonyms | tert-butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-6-carboxylate,
(4aS,7aS)-tert-butyl hexahydro-1H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate,
1330763-74-0,
1229428-51-6,
SCHEMBL18239343,
MFCD18384928,
ZINC82359767,
AS-34626,
AJ-125202,
Q-3055,
6-Boc-6H-octahydro-pyrrolo[3,4-b]pyridine,
186203-81-6,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number