CAS
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Specification
The molecular formula is C10H15NO.
The molecular weight is 165.23 g/mol.
The IUPAC name is 2-butoxyaniline.
The InChI is InChI=1S/C10H15NO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7H,2-3,8,11H2,1H3.
The InChIKey is IRTONKUCLPTRNS-UHFFFAOYSA-N.
The canonical SMILES is CCCCOC1=CC=CC=C1N.
The CAS number is 4469-81-2.
The ChEMBL ID is CHEMBL1741956.
The XLogP3 value is 2.4.
Yes, 2-Butoxyaniline is a canonicalized compound.