93445-21-7 Purity
96%
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Specification
The molecular formula is C12H17NO2.
The molecular weight is 207.27 g/mol.
The IUPAC name is tert-butyl 4-amino-3-methylbenzoate.
The InChI is InChI=1S/C12H17NO2/c1-8-7-9(5-6-10(8)13)11(14)15-12(2,3)4/h5-7H,13H2,1-4H3.
The InChIKey is HFMIRAQWPTZEAH-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C=CC(=C1)C(=O)OC(C)(C)C)N.
The synonyms are TERT-BUTYL 4-AMINO-3-METHYLBENZOATE, 934481-43-3, and TERT-BUTYL4-AMINO-3-METHYLBENZOATE.
The XLogP3-AA value is 2.4.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.