CAS
97234-97-4 Purity
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97234-97-4 Purity
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Specification
The molecular formula is C12H18N2.
The molecular weight is 190.28 g/mol.
The IUPAC name is N-(pyridin-3-ylmethyl)cyclohexanamine.
The InChI is InChI=1S/C12H18N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h4-5,8-9,12,14H,1-3,6-7,10H2.
The InChIKey is ZMEDRAGEALQOBI-UHFFFAOYSA-N.
The canonical SMILES is C1CCC(CC1)NCC2=CN=CC=C2.
The CAS number is 97247-37-5.
The ChEMBL ID is CHEMBL1625132.
Yes, N-(Pyridin-3-ylmethyl)cyclohexanamine is a canonicalized compound.