3-Ethylpyrazin-2(1h)-one
Basic information
- CAS
25680-54-0- Standard SMILES
CCc1ncc[nH]c1=O- InChIKey
USXFUKQCOMJBKF-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Names & identifiers
- Preferred name
- 3-Ethylpyrazin-2(1h)-one
- IUPAC
- 3-ethyl-1H-pyrazin-2-one
- English name
- 3-ethyl-(1H)-pyrazin-2-one
- Molecular formula
- C6H8N2O
- Molecular weight
- 124.14
Names & synonyms
3-ethylpyrazin-2(1h)-one25680-54-03-ethyl-2(1H)-pyrazinone3-ethyl-1H-pyrazin-2-one3-Ethyl-(1H)-pyrazin-2-oneMFCD19217676EINECS 247-183-53-ethyl-1,2-dihydropyrazin-2-one3-ethyl-2-hydroxypyrazineSCHEMBL8054296SCHEMBL9593515DTXSID90180380
Show more names
2(1H)-Pyrazinone, 3-ethyl-
AKOS006354624AKOS022633082DS-9951DA-20532SY113686CS-0152481NS00047479EN300-392965
Database identifiers
- CAS
25680-54-0- PubChem CID
- 117601
- DTXSID
DTXSID90180380- EC Number
- 247-183-5
- Nikkaji
- J287.297H
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 102 · 102-103 °C(Solv: benzene (71-43-2); pentane (109-66-0))
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.72 · 11.72±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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