Molecule ID: 11400

IUPAC Name: ethyl 3-aminobenzoate

Description: The molecule is a benzoate ester that is the ethyl ester of 3-aminobenzoic acid. Used (in the form of its methanesulfonate salt) as an anaesthetic for fish. It has a role as a general anaesthetic. It is a benzoate ester and a substituted aniline. It derives from a 3-aminobenzoic acid. It is a conjugate base of a tricaine(1+).

SMILES: CCOC(=O)c1cccc(N)c1

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3

Molecular Properties:
- Polar Surface Area: 52.3 Ų
- LogP: 1.8