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

Systemtic Name: 3-(2-azanylpropyl)phenol; 4-propylbenzene-1,2-diol; hydrobromide Openeye Name: 3-(2-aminopropyl)phenol; 4-propylbenzene-1,2-diol; hydrobromide CAS Name: 3-(2-aminopropyl)phenol; 4-propylbenzene-1,2-diol; hydrobromide IUPAC Name: 3-(2-aminopropyl)phenol; 4-propylbenzene-1,2-diol; hydrobromide Traditional Name: 3-(2-aminopropyl)phenol; 4-propylpyrocatechol; hydrobromide Formula: C18H26BrNO3 MolecularWeight: 384.30794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)O)O.CC(CC1=CC(=CC=C1)O)N.Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)O)O.CC(CC1=CC(=CC=C1)O)N.Br

InChI

InChI=1S/C9H13NO.C9H12O2.BrH/c1-7(10)5-8-3-2-4-9(11)6-8;1-2-3-7-4-5-8(10)9(11)6-7;/h2-4,6-7,11H,5,10H2,1H3;4-6,10-11H,2-3H2,1H3;1H