931-35-1 Purity
96%
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Specification
The molecular formula is C12H18N2.
The synonyms include 3-(Piperidin-1-ylmethyl)aniline, 93138-55-7, 3-(1-Piperidylmethyl)aniline, [3-(Piperidin-1-ylmethyl)phenyl]amine, and 3-Piperidin-1-ylmethyl-aniline.
The molecular weight is 190.28 g/mol.
The IUPAC name is 3-(piperidin-1-ylmethyl)aniline.
The InChI is InChI=1S/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2.
The InChIKey is SEJNYLBEEMVJNN-UHFFFAOYSA-N.
The Canonical SMILES is C1CCN(CC1)CC2=CC(=CC=C2)N.
The CAS number is 93138-55-7.
Yes, it is canonicalized.