2-chloranyl-N-(2-chloroethyl)ethanamine; 4-methylbenzoic acid

Systemtic Name: 2-chloranyl-N-(2-chloroethyl)ethanamine; 4-methylbenzoic acid Openeye Name: 2-chloro-N-(2-chloroethyl)ethanamine; 4-methylbenzoic acid CAS Name: 2-chloro-N-(2-chloroethyl)ethanamine; 4-methylbenzoic acid IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine; 4-methylbenzoic acid Traditional Name: bis(2-chloroethyl)amine; p-toluic acid Formula: C12H17Cl2NO2 MolecularWeight: 278.17488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.C(CCl)NCCCl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.C(CCl)NCCCl

InChI

InChI=1S/C8H8O2.C4H9Cl2N/c1-6-2-4-7(5-3-6)8(9)10;5-1-3-7-4-2-6/h2-5H,1H3,(H,9,10);7H,1-4H2