2-Bromo-2-ethylbutanamide
Basic information
- CAS
511-70-6- Standard SMILES
CCC(Br)(CC)C(N)=O- InChIKey
ACEYAMOAGUDVAQ-UHFFFAOYSA-N- Molecular formula
- C6H12BrNO
- Average molar mass
- 194.07 g/mol
- Monoisotopic mass
- 193.01023
Names & identifiers
- Preferred name
- 2-Bromo-2-ethylbutanamide
- IUPAC
- 2-bromo-2-ethylbutanamide
- English name
- 2-bromo-2-ethylbutyramide
- Molecular formula
- C6H12BrNO
- Molecular weight
- 194.07
Names & synonyms
Carbromide2-Bromo-2-ethylbutanamideNeuronalCarabromideDiethylbromoacetamide511-70-62-Ethyl-2-bromobutyramide2-Bromo-2,2-diethylacetamideBUTYRAMIDE, 2-BROMO-2-ETHYL-6BTQ2OHW47NSC-4607DTXSID80199108
Show more names
RefChem:123686DTXCID70121599208-132-22-Bromo-2-ethylbutyramideButanamide, 2-bromo-2-ethyl-NSC 4607EINECS 208-132-2UNII-6BTQ2OHW47
Database identifiers
- CAS
511-70-6- PubChem CID
- 10535
- DTXSID
DTXSID80199108- UNII
- 6BTQ2OHW47
- EC Number
- 208-132-2
- Nikkaji
- J6.269C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 67 ° · 67°
- Boiling point
- 261.6 · 261.6±23.0 °C(Predicted)
- Density
- 1.3787 · 1.3787 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 14.93 · 14.93±0.50(Predicted)
- FDA UNII
- 6 BTQ2OHW47 · 6BTQ2OHW47
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…