CAS
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Specification
The molecular formula is C12H22N2O2.
The molecular weight is 226.32 g/mol.
The synonyms include 351370-99-5 and tert-butyl 1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate.
The InChIKey is LRTPRHCNWAEZBN-UHFFFAOYSA-N.
The Canonical SMILES is CC(C)(C)OC(=O)N1CCC2CNCC2C1.
The XLogP3-AA value is 1.1.
There is 1 hydrogen bond donor count.
The topological polar surface area is 41.6Ų.
There are 2 rotatable bond counts.
Yes, the compound is canonicalized in the PubChem database.