Basic information
- CAS
194490-18-1- Standard SMILES
CCOC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1- InChIKey
ULMVLLISCAWCMZ-UHFFFAOYSA-N- Molecular formula
- C15H19NO2
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.14157885
Names & identifiers
- Preferred name
- ethyl 5-tert-butyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-tert-butyl-1H-indole-2-carboxylate
- English name
- 5-TERT-BUTYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C15H19NO2
- Molecular weight
- 245.32
Names & synonyms
194490-18-1ethyl 5-tert-butyl-1H-indole-2-carboxylateEthyl 5-(tert-butyl)-1H-indole-2-carboxylate5-tert-butyl-1H-indole-2-carboxylic acid ethyl esterMFCD04967030SCHEMBL3279698ULMVLLISCAWCMZ-UHFFFAOYSA-NDTXSID201225839AKOS001475978ethyl 5-tert-butylindole-2-carboxylateethyl 5-t-butyl-1H-indole-2-carboxylateSY033795
Show more names
1H-Indole-2-carboxylic acid, 5-(1,1-dimethylethyl)-, ethyl ester
Ethyl 5-(tert-Butyl)indole-2-carboxylateDB-370474Ethyl5-(tert-butyl)-1H-indole-2-carboxylateEN300-211882G83779F866461Ethyl 5-tert-butyl-1H-indole-2-carboxylate, 97%Ethyl 5-(1,1-dimethylethyl)-1H-indole-2-carboxylate
Database identifiers
- CAS
194490-18-1- PubChem CID
- 4714960
- DTXSID
DTXSID201225839
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 137 °C · 137 °C
- Boiling point
- 379.8 · 379.8±22.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 15.26 · 15.26±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29339900 · 29339900
Safety & regulation
Safety data
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
7 records
Compound notes
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