4-(3-azanylpropyl)phenol; 4-propylbenzene-1,2-diol; hydrochloride

Systemtic Name: 4-(3-azanylpropyl)phenol; 4-propylbenzene-1,2-diol; hydrochloride Openeye Name: 4-(3-aminopropyl)phenol; 4-propylbenzene-1,2-diol; hydrochloride CAS Name: 4-(3-aminopropyl)phenol; 4-propylbenzene-1,2-diol; hydrochloride IUPAC Name: 4-(3-aminopropyl)phenol; 4-propylbenzene-1,2-diol; hydrochloride Traditional Name: 4-(3-aminopropyl)phenol; 4-propylpyrocatechol; hydrochloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)O)O.C1=CC(=CC=C1CCCN)O.Cl

Isomeric SMILES

CCCC1=CC(=C(C=C1)O)O.C1=CC(=CC=C1CCCN)O.Cl

InChI

InChI=1S/C9H13NO.C9H12O2.ClH/c10-7-1-2-8-3-5-9(11)6-4-8;1-2-3-7-4-5-8(10)9(11)6-7;/h3-6,11H,1-2,7,10H2;4-6,10-11H,2-3H2,1H3;1H