CAS
939986-64-8 Purity
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939986-64-8 Purity
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Specification
The molecular formula is C11H18N2O2.
The molecular weight is 210.27 g/mol.
The IUPAC name is tert-butyl (2R)-2-cyanopiperidine-1-carboxylate.
The InChI is InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3/t9-/m1/s1.
The InChIKey is LKAJZBMOVZIKHA-SECBINFHSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1CCCCC1C#N.
There are 0 hydrogen bond donor counts.
There are 3 hydrogen bond acceptor counts.
There are 2 rotatable bond counts.
Yes, it is a canonicalized compound.