N,N-bis(2-chloroethyl)aniline; propanoate

Systemtic Name: N,N-bis(2-chloroethyl)aniline; propanoate Openeye Name: N,N-bis(2-chloroethyl)aniline; propanoate CAS Name: N,N-bis(2-chloroethyl)aniline; propanoate IUPAC Name: N,N-bis(2-chloroethyl)aniline; propanoate Traditional Name: bis(2-chloroethyl)-phenyl-amine; propionate Formula: C13H18Cl2NO2- MolecularWeight: 291.19352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].C1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCC(=O)[O-].C1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C10H13Cl2N.C3H6O2/c11-6-8-13(9-7-12)10-4-2-1-3-5-10;1-2-3(4)5/h1-5H,6-9H2;2H2,1H3,(H,4,5)/p-1