3-azanylpropanoic acid; 3-ethylbenzenecarbonitrile; hydrochloride

Systemtic Name: 3-azanylpropanoic acid; 3-ethylbenzenecarbonitrile; hydrochloride Openeye Name: 3-aminopropanoic acid; 3-ethylbenzonitrile; hydrochloride CAS Name: 3-aminopropanoic acid; 3-ethylbenzonitrile; hydrochloride IUPAC Name: 3-aminopropanoic acid; 3-ethylbenzonitrile; hydrochloride Traditional Name: 3-aminopropionic acid; 3-ethylbenzonitrile; hydrochloride Formula: C12H17ClN2O2 MolecularWeight: 256.72858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C#N.C(CN)C(=O)O.Cl

Isomeric SMILES

CCC1=CC=CC(=C1)C#N.C(CN)C(=O)O.Cl

InChI

InChI=1S/C9H9N.C3H7NO2.ClH/c1-2-8-4-3-5-9(6-8)7-10;4-2-1-3(5)6;/h3-6H,2H2,1H3;1-2,4H2,(H,5,6);1H