CAS
96187-76-7 Purity
96%
96187-76-7 Purity
96%
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Specification
The molecular formula is C7H14N2.
The molecular weight is 126.20 g/mol.
The IUPAC name is (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
The InChI is InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m1/s1.
The InChIKey is FTTATHOUSOIFOQ-SSDOTTSWSA-N.
The canonical SMILES is C1CC2CNCCN2C1.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.
It has 0 rotatable bond counts.
Yes, the compound is canonicalized.