Ethyl 5-ethyl-1H-indole-2-carboxylate
Basic information
- CAS
37033-94-6- Standard SMILES
CCOC(=O)c1cc2cc(CC)ccc2[nH]1- InChIKey
BPAHRSSJFSVBFO-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- Ethyl 5-ethyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-ethyl-1H-indole-2-carboxylate
- English name
- 2-Carbethoxy-5-ethylindole
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
37033-94-6Ethyl 5-ethyl-1H-indole-2-carboxylate2-INDOLECARBOXYLIC ACID, 5-ETHYL-, ETHYL ESTER1H-Indole-2-carboxylic acid, 5-ethyl-, ethyl ester3NWP61DPJ3DTXSID60190537RefChem:1084979DTXCID001130282-CARBETHOXY-5-ETHYLINDOLEEthyl 5-ethyl-2-indolecarboxylate5-Ethyl-2-indolecarboxylic acid ethyl esterMFCD00022704
Show more names
5-ethyl-2-indolecarboxylicaciethylester5-ethyl-2-indolecarboxylicacidethylester
ETHYL 5-ETHYLINDOLE-2-CARBOXYLATE5-ethylindole-2-carboxylic acid ethyl ester5-ethyl-1H-indole-2-carboxylic acid ethyl esterNSC-1111635-Et-ICA-OEtNSC 111163BRN 0164356UNII-3NWP61DPJ3
Database identifiers
- CAS
37033-94-6- PubChem CID
- 37610
- DTXSID
DTXSID60190537- UNII
- 3NWP61DPJ3
- Nikkaji
- J41.035G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 103 °C · 103 °C(Solv: benzene (71-43-2))
- Boiling point
- 155.7 °C · 155.7 °C(Press: 0.4 Torr)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 15.19 · 15.19±0.30(Predicted)
- FDA UNII
- 3 NWP61DPJ3 · 3NWP61DPJ3
Chemistry & industry
Applications
Uses5-Ethylindole-2-carboxylic acid ethyl ester is useful as a versatile building block and as a research chemical, it can be used as an intermediate for the synthesis of complex compounds.
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Related reactions
1 records
Compound notes
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