Basic information
- CAS
59410-26-3- Standard SMILES
CCNC(=O)C(C)(CC(C)C)C(C)C- InChIKey
TXZSLZLHRVGMMP-UHFFFAOYSA-N- Molecular formula
- C12H25NO
- Average molar mass
- 199.33 g/mol
- Monoisotopic mass
- 199.19361442
Names & identifiers
- Preferred name
- N-Ethyl-2-isopropyl-2,4-dimethylvaleramide
- IUPAC
- N-ethyl-2,4-dimethyl-2-propan-2-ylpentanamide
- English name
- N-ethyl-2-isopropyl-2,4-dimethylvaleramide
- Molecular formula
- C12H25NO
- Molecular weight
- 199.33
Names & synonyms
N-Ethyl-2-isopropyl-2,4-dimethylvaleramide59410-26-3EINECS 261-745-7SCHEMBL17428037DTXSID50974828TXZSLZLHRVGMMP-UHFFFAOYSA-NDB-321126NS00056867N-Ethyl-2,4-dimethyl-2-(propan-2-yl)pentanimidic acidN-Ethyl-2,4-dimethyl-2-(1-methylethyl)pentanamidePentanamide, N-ethyl-2,4-dimethyl-2-(1-methylethyl)-
Database identifiers
- CAS
59410-26-3- PubChem CID
- 101044
- DTXSID
DTXSID50974828- EC Number
- 261-745-7
- Nikkaji
- J298.148C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 259.1 · 259.1±8.0 °C(Predicted)
- Density
- 0.854 · 0.854±0.06 g/cm3(Predicted)
- pka
- 16.42 · 16.42±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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