Ethyl 3-aminobenzoate

C9H11NO2CAS 582-33-2165.19 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Density
1.1248 g/mL (at 22 °C)
Melting point
33–35 °C
Boiling point
294 °C
logP
1.45Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
582-33-2
SMILES
CCOC(=O)c1cccc(N)c1
InChIKey
ZMCBYSBVJIMENC-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Benzoic acid, 3-amino-, ethyl ester
  • NSC 39593
  • Benzoic acid, m-amino-, ethyl ester
  • Ethyl m-aminobenzoate
  • m-Ethoxycarbonylaniline
  • 3-(Ethoxycarbonyl)aniline
  • 3-Carbethoxyaniline
  • 3-Aminobenzoic acid ethyl ester
  • m-Aminobenzoic acid ethyl ester
  • (3-(Ethoxycarbonyl)phenyl)amine
  • 3-Ethoxycarbonylbenzeneamine

Work with Ethyl 3-aminobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tricaine methanesulfonate886-86-2Salt

Similar compounds

1,3-Diethyl 1,3-benzenedicarboxylate636-53-375 % similar Benzocaine94-09-766 % similar Ethyl m-chlorobenzoate1128-76-365 % similar Ethyl 3-methylbenzoate120-33-265 % similar Ethyl 3-bromobenzoate24398-88-765 % similar Ethyl 3-fluorobenzoate451-02-565 % similar Methyl 3-aminobenzoate4518-10-964 % similar Ethyl 3-iodobenzoate58313-23-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook