Pyrazine, 3-ethoxy-2-pentyl
Basic information
- CAS
113685-82-8- Standard SMILES
CCCCCc1nccnc1OCC- InChIKey
ZTFRROZFJBQMHI-UHFFFAOYSA-N- Molecular formula
- C11H18N2O
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.1419132
Names & identifiers
- Preferred name
- Pyrazine, 3-ethoxy-2-pentyl
- IUPAC
- 2-ethoxy-3-pentylpyrazine
Names & synonyms
Pyrazine, 3-ethoxy-2-pentyl113685-82-8DTXSID70336000RefChem:375923DTXCID30287089ZTFRROZFJBQMHI-UHFFFAOYSA-N2-ethoxy-3-pentylpyrazineCHEMBL95370Pyrazine, 2-ethoxy-3-pentyl
Database identifiers
- CAS
113685-82-8- PubChem CID
- 528315
- DTXSID
DTXSID70336000- ChEMBL
CHEMBL95370
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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