Ethyl 2-aminobenzoate
Properties
- Molecular formula
- C9H11NO2
- Molar mass
- 165.19 g/mol
- Exact mass
- 165.0790 Da
- Density
- 1.1174 g/mL (at 20 °C)
- Melting point
- 13 °C
- Boiling point
- 268 °C
- pKa
- 2.18 (conjugate acid)
- Water solubility
- insoluble
- logP
- 1.45Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation15.3% of notifiers
- H319 Causes serious eye irritation15.3% of notifiers
Aggregated from 308 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
87-25-2SMILES
CCOC(=O)c1ccccc1NInChIKey
TWLLPUMZVVGILS-UHFFFAOYSA-NInChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzoic acid, 2-amino-, ethyl ester
- Anthranilic acid, ethyl ester
- Ethyl o-aminobenzoate
- o-(Ethoxycarbonyl)aniline
- 2-Carboethoxyaniline
- Ethyl anthranilate
- 2-Aminobenzoic acid ethyl ester
- 2-(Ethoxycarbonyl)aniline
- (2-(Ethoxycarbonyl)phenyl)amine
- NSC 4146
Work with Ethyl 2-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
Similar compounds
Diethyl phthalate84-66-273 % similar
Butyl anthranilate7756-96-968 % similar
Isobutyl anthranilate7779-77-365 % similar
Ethyl 2-methoxybenzoate7335-26-464 % similar
Benzyl anthranilate82185-41-964 % similar
Ethyl 3-aminoisonicotinate14208-83-463 % similar
Ethyl 2-bromobenzoate6091-64-163 % similar
Ethyl 2-methylbenzoate87-24-163 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.