N-[bis(azanyl)methylidene]-4-methyl-benzamide; 2-phenylethanamine; ethanoate

Systemtic Name: N-[bis(azanyl)methylidene]-4-methyl-benzamide; 2-phenylethanamine; ethanoate Openeye Name: N-(diaminomethylene)-4-methyl-benzamide; 2-phenylethanamine; acetate CAS Name: N-(diaminomethylidene)-4-methylbenzamide; 2-phenylethanamine; acetate IUPAC Name: N-(diaminomethylidene)-4-methylbenzamide; 2-phenylethanamine; acetate Traditional Name: N-(diaminomethylene)-4-methyl-benzamide; phenethylamine; acetate Formula: C19H25N4O3- MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N=C(N)N.CC(=O)[O-].C1=CC=C(C=C1)CCN

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=C(N)N.CC(=O)[O-].C1=CC=C(C=C1)CCN

InChI

InChI=1S/C9H11N3O.C8H11N.C2H4O2/c1-6-2-4-7(5-3-6)8(13)12-9(10)11;9-7-6-8-4-2-1-3-5-8;1-2(3)4/h2-5H,1H3,(H4,10,11,12,13);1-5H,6-7,9H2;1H3,(H,3,4)/p-1