4-methylbenzoic acid; 2-phenylethanamine

Systemtic Name: 4-methylbenzoic acid; 2-phenylethanamine Openeye Name: 4-methylbenzoic acid; 2-phenylethanamine CAS Name: 4-methylbenzoic acid; 2-phenylethanamine IUPAC Name: 4-methylbenzoic acid; 2-phenylethanamine Traditional Name: phenethylamine; p-toluic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)CCN

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C8H11N.C8H8O2/c9-7-6-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)8(9)10/h1-5H,6-7,9H2;2-5H,1H3,(H,9,10)