4-azanylbenzoic acid; 1-(undecan-6-ylamino)propan-2-ol; hydrochloride

Systemtic Name: 4-azanylbenzoic acid; 1-(undecan-6-ylamino)propan-2-ol; hydrochloride Openeye Name: 4-aminobenzoic acid; 1-(1-pentylhexylamino)propan-2-ol; hydrochloride CAS Name: 4-aminobenzoic acid; 1-(undecan-6-ylamino)-2-propanol; hydrochloride IUPAC Name: 4-aminobenzoic acid; 1-(undecan-6-ylamino)propan-2-ol; hydrochloride Traditional Name: 4-aminobenzoic acid; 1-(1-amylhexylamino)propan-2-ol; hydrochloride Formula: C21H39ClN2O3 MolecularWeight: 402.99896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)NCC(C)O.C1=CC(=CC=C1C(=O)O)N.Cl

Isomeric SMILES

CCCCCC(CCCCC)NCC(C)O.C1=CC(=CC=C1C(=O)O)N.Cl

InChI

InChI=1S/C14H31NO.C7H7NO2.ClH/c1-4-6-8-10-14(11-9-7-5-2)15-12-13(3)16;8-6-3-1-5(2-4-6)7(9)10;/h13-16H,4-12H2,1-3H3;1-4H,8H2,(H,9,10);1H