Basic information
- CAS
75492-00-1- Standard SMILES
CCCCCc1cnc(C)c(C)n1- InChIKey
VKYMJNLWOOCXDZ-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- 2,3-Dimethyl-5-pentylpyrazine
- IUPAC
- 2,3-dimethyl-5-pentylpyrazine
- English name
- Pyrazine, 2,3-dimethyl-5-pentyl- (9CI)
- Molecular formula
- C11H18N2
- Molecular weight
- 178.27402
Names & synonyms
2,3-dimethyl-5-pentylpyrazine75492-00-1Pyrazine, 2,3-dimethyl-5-pentylpentyldimethylpyrazineCHEMBL96262DTXSID10335951VKYMJNLWOOCXDZ-UHFFFAOYSA-NDB-0879045,6-dimethyl-2-pentylpyrazinePyrazine, 2,3-dimethyl-5-pentyl- (9CI)
Database identifiers
- CAS
75492-00-1- PubChem CID
- 528110
- DTXSID
DTXSID10335951- ChEMBL
CHEMBL96262- Nikkaji
- J495.063A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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