--- Purity
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Specification
The molecular formula of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is C13H18N2.
The molecular weight of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is 202.30 g/mol.
The IUPAC name of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is 5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
The InChI of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is InChI=1S/C13H18N2/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(12)10-15/h1-5,12-14H,6-10H2.
The InChIKey of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is AOBSJQWEYXEPBK-UHFFFAOYSA-N.
The canonical SMILES of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is C1C2CN(CC2CN1)CC3=CC=CC=C3.
The CAS number of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is 86732-22-1.
The EC number of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is 836-319-4.
The XLogP3-AA value of 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is 1.4.
Yes, 2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole is a canonicalized compound.