CAS
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Specification
The molecular formula is C12H17NO.
The molecular weight is 191.27 g/mol.
The IUPAC name is (2-cyclopentyloxyphenyl)methanamine.
The InChI is InChI=1S/C12H17NO/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9,13H2.
The InChIKey is NYCBHEMCYMXECF-UHFFFAOYSA-N.
The canonical SMILES is C1CCC(C1)OC2=CC=CC=C2CN.
The CAS number is 943117-99-5.
The EC number is 845-538-4.
The XLogP3-AA value is 2.
Yes, the compound is canonicalized.