Basic information
- CAS
77903-26-5- Standard SMILES
COc1cncc(NC(=O)C(C)(C)C)c1C- InChIKey
SIITWAUFVLJVQH-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.13682782
Names & identifiers
- Preferred name
- N-(5-Methoxy-4-methylpyridin-3-yl)pivalamide
- IUPAC
- N-(5-methoxy-4-methyl-3-pyridinyl)-2,2-dimethylpropanamide
- English name
- N-(5-Methoxy-4-methylpyridin-3-yl)pivalamide
- Molecular formula
- C12H18N2O2
- Molecular weight
- 222.28
Names & synonyms
N-(5-Methoxy-4-methylpyridin-3-yl)pivalamide77903-26-5N-(5-Methoxy-4-methylpyridin-3-yl)-2,2-dimethylpropanamideSCHEMBL23169930DTXSID50507514Propanamide, N-(5-methoxy-4-methyl-3-pyridinyl)-2,2-dimethyl-
Database identifiers
- CAS
77903-26-5- PubChem CID
- 12706331
- DTXSID
DTXSID50507514
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 136 · 136-137 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 363.3 · 363.3±42.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.74 · 13.74±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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