4-methylbenzenesulfonic acid; N'-methylpropane-1,3-diamine

Systemtic Name: 4-methylbenzenesulfonic acid; N'-methylpropane-1,3-diamine Openeye Name: 4-methylbenzenesulfonic acid; N'-methylpropane-1,3-diamine CAS Name: 4-methylbenzenesulfonic acid; N'-methylpropane-1,3-diamine IUPAC Name: 4-methylbenzenesulfonic acid; N'-methylpropane-1,3-diamine Traditional Name: 3-aminopropyl(methyl)amine; tosylic acid Formula: C11H20N2O3S MolecularWeight: 260.3531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CNCCCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CNCCCN

InChI

InChI=1S/C7H8O3S.C4H12N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5/h2-5H,1H3,(H,8,9,10);6H,2-5H2,1H3