3-aminobenzoic acid (CHEBI:42682)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	3-aminobenzoic acid

ChEBI ID	CHEBI:42682

Definition	An aminobenzoic acid carrying an amino group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:42675, CHEBI:30760

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C7H7NO2

Net Charge

Average Mass

137.13602

Monoisotopic Mass

137.04768

InChI

InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)

InChIKey

XFDUHJPVQKIXHO-UHFFFAOYSA-N

SMILES

Nc1cccc(c1)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	3-aminobenzoic acid (CHEBI:42682) has functional parent benzoic acid (CHEBI:30746) 3-aminobenzoic acid (CHEBI:42682) is a aminobenzoic acid (CHEBI:22495) 3-aminobenzoic acid (CHEBI:42682) is conjugate acid of 3-aminobenzoate (CHEBI:30761)

Incoming	3-(oxaloamino)benzoic acid (CHEBI:30868) has functional parent 3-aminobenzoic acid (CHEBI:42682) tricaine (CHEBI:81494) has functional parent 3-aminobenzoic acid (CHEBI:42682) 3-aminobenzoate (CHEBI:30761) is conjugate base of 3-aminobenzoic acid (CHEBI:42682)

IUPAC Name

3-aminobenzoic acid

Last Modified

29 February 2016