Basic information
- CAS
861210-41-5- Standard SMILES
Cc1c(C)n(CCc2cnc[nH]2)ccc1=O- InChIKey
YHORDFVTQPUJJX-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
Names & identifiers
- Preferred name
- 1-[2-(1H-imidazol-4-yl)ethyl]-2,3-dimethyl-4(1H)-pyridinone
- IUPAC
- 1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dimethylpyridin-4-one
- English name
- 1-[2-(1H-Imidazol-4-yl)ethyl]-2,3-dimethyl-4(1H)-pyridinone
- Molecular formula
- C12H15N3O
- Molecular weight
- 217.27
Names & synonyms
861210-41-5MFCD037875511-[2-(1H-imidazol-4-yl)ethyl]-2,3-dimethyl-4(1H)-pyridinone1-[2-(1H-imidazol-4-yl)ethyl]-2,3-dimethyl-1,4-dihydropyridin-4-one1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dimethylpyridin-4-oneAKOS0159924792W-08071-[2-(1H-imidazol-5-yl)ethyl]-2,3-dimethyl-pyridin-4-one4(1H)-Pyridinone, 1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dimethyl-
Database identifiers
- CAS
861210-41-5
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 444.4 · 444.4±45.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.10(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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