393-11-3 Purity
98%
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Specification
The molecular formula of 4-tert-Butylbenzylamine is C11H17N.
The molecular weight of 4-tert-Butylbenzylamine is 163.26 g/mol.
The IUPAC name of 4-tert-Butylbenzylamine is (4-tert-butylphenyl)methanamine.
The InChI of 4-tert-Butylbenzylamine is InChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3.
The InChIKey of 4-tert-Butylbenzylamine is MPWSRGAWRAYBJK-UHFFFAOYSA-N.
The canonical SMILES of 4-tert-Butylbenzylamine is CC(C)(C)C1=CC=C(C=C1)CN.
The CAS number of 4-tert-Butylbenzylamine is 39895-55-1.
The European Community (EC) number of 4-tert-Butylbenzylamine is 254-681-6.
The ChEMBL ID of 4-tert-Butylbenzylamine is CHEMBL387214.
Yes, 4-tert-Butylbenzylamine is a canonicalized compound.