Basic information
- CAS
24691-47-2- Standard SMILES
CCOC(=O)c1nc(C)c(C(=O)OCC)nc1C- InChIKey
OBOVDBBMFDGZEL-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- Diethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
- IUPAC
- diethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
- English name
- dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
- Molecular formula
- C12H16N2O4
- Molecular weight
- 252.27
Names & synonyms
24691-47-2diethyl 3,6-dimethylpyrazine-2,5-dicarboxylateDTXSID10284874RefChem:337869DTXCID602360252,5-DIethyl 3,6-dimethylpyrazine-2,5-dicarboxylateNSC394772,5-Pyrazinedicarboxylic acid, 3,6-dimethyl-, 2,5-diethyl esterSCHEMBL21572852NSC-39477BS-221132,5-DIethyl3,6-dimethylpyrazine-2,5-dicarboxylate
Show more names
diethyl 2,5-dimethylpyrazine-3,6-dicarboxylatedimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
Database identifiers
- CAS
24691-47-2- PubChem CID
- 236705
- DTXSID
DTXSID10284874- Nikkaji
- J3.681.953G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 350.7 · 350.7±37.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- -3.59 · -3.59±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海堃睿化工科技有限公司+86-021-50935922
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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