ethane; 2-methylpropanamide; phenylmethanamine; hydrochloride

Systemtic Name: ethane; 2-methylpropanamide; phenylmethanamine; hydrochloride Openeye Name: ethane; 2-methylpropanamide; phenylmethanamine; hydrochloride CAS Name: ethane; 2-methylpropanamide; phenylmethanamine; hydrochloride IUPAC Name: ethane; 2-methylpropanamide; phenylmethanamine; hydrochloride Traditional Name: benzylamine; ethane; isobutyramide; hydrochloride Formula: C13H25ClN2O MolecularWeight: 260.8034

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC(C)C(=O)N.C1=CC=C(C=C1)CN.Cl

Isomeric SMILES

CC.CC(C)C(=O)N.C1=CC=C(C=C1)CN.Cl

InChI

InChI=1S/C7H9N.C4H9NO.C2H6.ClH/c8-6-7-4-2-1-3-5-7;1-3(2)4(5)6;1-2;/h1-5H,6,8H2;3H,1-2H3,(H2,5,6);1-2H3;1H