butan-1-amine; 2-dimethylaminoethyl benzoate; hydrochloride

Systemtic Name: butan-1-amine; 2-dimethylaminoethyl benzoate; hydrochloride Openeye Name: butan-1-amine; 2-dimethylaminoethyl benzoate; hydrochloride CAS Name: benzoic acid 2-dimethylaminoethyl ester; 1-butanamine; hydrochloride IUPAC Name: butan-1-amine; 2-dimethylaminoethyl benzoate; hydrochloride Traditional Name: benzoic acid 2-dimethylaminoethyl ester; butylamine; hydrochloride Formula: C15H27ClN2O2 MolecularWeight: 302.84008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CN(C)CCOC(=O)C1=CC=CC=C1.Cl

Isomeric SMILES

CCCCN.CN(C)CCOC(=O)C1=CC=CC=C1.Cl

InChI

InChI=1S/C11H15NO2.C4H11N.ClH/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10;1-2-3-4-5;/h3-7H,8-9H2,1-2H3;2-5H2,1H3;1H