Basic information
- CAS
512-48-1- Standard SMILES
C=CCC(CC)(CC)C(N)=O- InChIKey
LOMDVEFCNVDZMZ-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Overview
Valdetamide is a fatty amide.
Names & identifiers
- Preferred name
- Valdetamide
- IUPAC
- 2,2-diethylpent-4-enamide
- English name
- valdetamide
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
ValdetamideDiethylallylacetamide2,2-Diethyl-4-pentenamideValdetamidaValdetamide [INN]ValdetamidumValdetamidum [Latin]Valdetamida [Spanish]4-Pentenamide, 2,2-diethyl-DiaethylallylacetamideDiaethylallylacetamide [German]UNII-1X50HHA8FY
Show more names
NovonalEpinoval2,2-diethylpent-4-enamide2,2-Diethyl-4-pentenoic amide2,2-diethyl-pent-4-enoic acid amide
EINECS 208-143-21X50HHA8FYAllyldiethylacetamideBRN 1761844VALDETAMIDE [MI]2,2 Diethyl-4-pentenamideVALDETAMIDE [WHO-DD]DTXSID90199210
Database identifiers
- CAS
512-48-1- PubChem CID
- 68845
- DTXSID
DTXSID90199210- ChEMBL
CHEMBL2107706- ChEBI
CHEBI:134782- UNII
- 1X50HHA8FY
- EC Number
- 208-143-2
- Nikkaji
- J10.700J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 75 · 75-76°
- Boiling point
- 279.06 °C · 279.06°C (rough estimate)
- Density
- 0.9796 · 0.9796 (rough estimate)
- refractive index
- 1.464 · 1.4640 (estimate)
- pka
- 16.59 · 16.59±0.50(Predicted)
- CAS DataBase Reference
- 512 · 512-48-1
- FDA UNII
- 1 X50HHA8FY · 1X50HHA8FY
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
DefinitionChEBI: Valdetamide is a fatty amide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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