(4-chlorophenyl)methanamine; 3-methylbutanoic acid

Systemtic Name: (4-chlorophenyl)methanamine; 3-methylbutanoic acid Openeye Name: (4-chlorophenyl)methanamine; 3-methylbutanoic acid CAS Name: (4-chlorophenyl)methanamine; 3-methylbutanoic acid IUPAC Name: (4-chlorophenyl)methanamine; 3-methylbutanoic acid Traditional Name: (4-chlorobenzyl)amine; 3-methylbutyric acid Formula: C12H18ClNO2 MolecularWeight: 243.72982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)O.C1=CC(=CC=C1CN)Cl

Isomeric SMILES

CC(C)CC(=O)O.C1=CC(=CC=C1CN)Cl

InChI

InChI=1S/C7H8ClN.C5H10O2/c8-7-3-1-6(5-9)2-4-7;1-4(2)3-5(6)7/h1-4H,5,9H2;4H,3H2,1-2H3,(H,6,7)