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Basic information
- CAS
900640-47-3- Standard SMILES
CC(C)(C)c1cc2cc(C#N)ccc2[nH]1- InChIKey
IELAFVPOSLQGEX-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.269 g/mol
- Monoisotopic mass
- 198.11569845
Names & identifiers
- Preferred name
- 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile
- IUPAC
- 2-tert-Butyl-1H-indole-5-carbonitrile
- English name
- 2-TERT-BUTYL-1H-INDOLE-5-CARBONITRILE
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
2-TERT-BUTYL-1H-INDOLE-5-CARBONITRILE1H-Indole-5-carbonitrile, 2-(1,1-dimethylethyl)-
Database identifiers
- CAS
900640-47-3- PubChem CID
- 6991833
- DTXSID
DTXSID801248207
Properties
Physicochemical properties
- Boiling point
- 367.4 · 367.4±22.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 16.35 · 16.35±0.30(Predicted)
Chemistry & industry
Suppliers4 total
A.J Chemicals[email protected]
ARENA CHEMICAL[email protected]
ACB-BLOCKS[email protected]
BIO-FARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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