Ethyl 3-aminobenzofuran-2-carboxylate

C₁₁H₁₁NO₃CAS 39786-35-1205.21 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₁H₁₁NO₃
Molar mass: 205.21 g/mol
Exact mass: 205.0739 Da
logP: 2.19Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

39786-35-1

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)N

InChIKey

PWOARNMOPCOJEV-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3

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Work with Ethyl 3-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

3-Methylbenzofuran-2-carboxylic acid ethyl ester22367-82-469 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-950 % similar Ethyl 2-aminobenzoate87-25-248 % similar Diethyl phthalate84-66-248 % similar Ethyl 1-naphthalenecarboxylate3007-97-447 % similar Diethyl 2,5-furandicarboxylate53662-83-246 % similar Ethyl benzoate93-89-046 % similar 3-Carbethoxycoumarin1846-76-046 % 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 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 7-Amino-4-(methoxymethyl)-2H-chromen-2-one175205-10-4 Indole-3-lactic acid1821-52-9

Elsewhere

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