isocyanomethylbenzene; 3-methylbutan-1-amine

Systemtic Name: isocyanomethylbenzene; 3-methylbutan-1-amine Openeye Name: isocyanomethylbenzene; 3-methylbutan-1-amine CAS Name: isocyanomethylbenzene; 3-methyl-1-butanamine IUPAC Name: isocyanomethylbenzene; 3-methylbutan-1-amine Traditional Name: isoamylamine; isocyanomethylbenzene Formula: C13H20N2 MolecularWeight: 204.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N.C5H13N/c1-9-7-8-5-3-2-4-6-8;1-5(2)3-4-6/h2-6H,7H2;5H,3-4,6H2,1-2H3