Ethyl 5-aminobenzofuran-2-carboxylate

C11H11NO3CAS 174775-48-5205.21 g/mol

Open in Covalent MOL file
OONH2O
EsterPrimary amine

Properties

Molecular formula
C11H11NO3
Molar mass
205.21 g/mol
Exact mass
205.0739 Da
Melting point
59–60 °C
logP
2.19Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
174775-48-5
SMILES
CCOC(=O)c1cc2cc(N)ccc2o1
InChIKey
YFFLLDHEEWSHQG-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • 2-Benzofurancarboxylic acid, 5-amino-, ethyl ester
  • 5-Aminobenzofuran-2-carboxylic acid ethyl ester
  • Ethyl 5-amino-1-benzofuran-2-carboxylate

Work with Ethyl 5-aminobenzofuran-2-carboxylate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl(5-bromobenzofuran)-2-carboxylate84102-69-268 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-967 % similar Ethyl 5-nitrobenzofuran-2-carboxylate69604-00-861 % similar Diethyl 2,5-furandicarboxylate53662-83-253 % similar Benzocaine94-09-752 % similar Ethyl 3-aminobenzoate582-33-251 % similar Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate183288-43-951 % similar Ethyl 7-methoxy-1-benzofuran-2-carboxylate50551-58-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 7-Amino-4-(methoxymethyl)-2H-chromen-2-one175205-10-4 Indole-3-lactic acid1821-52-9 (3-(4-Methoxyphenyl)-1,2-oxazol-5-yl)methanol206055-86-9

Elsewhere

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