Basic information
- CAS
15986-96-6- Standard SMILES
CCCCC1=NCCN=C1C- InChIKey
PATGXOSMIGXGKT-UHFFFAOYSA-N- Molecular formula
- C9H16N2
- Average molar mass
- 152.24 g/mol
- Monoisotopic mass
- 152.13134852
Names & identifiers
- Preferred name
- 2-Butyl-5,6-dihydro-3-methylpyrazine
- IUPAC
- 5-butyl-6-methyl-2,3-dihydropyrazine
- English name
- 2-butyl-5,6-dihydro-3-methylpyrazine
- Molecular formula
- C9H16N2
- Molecular weight
- 152.24
Names & synonyms
2-Butyl-5,6-dihydro-3-methylpyrazine15986-96-6EINECS 240-124-4J6AJ22VUT4DTXSID40166755Pyrazine, 2-butyl-5,6-dihydro-3-methyl-RefChem:86037DTXCID8089246240-124-45-butyl-6-methyl-2,3-dihydropyrazineUNII-J6AJ22VUT4SCHEMBL28846554
Show more names
Pyrazine, 2-butyl-5,6-dihydro-3-methyl- (8CI,9CI)
PATGXOSMIGXGKT-UHFFFAOYSA-NDB-260868NS00025205
Database identifiers
- CAS
15986-96-6- PubChem CID
- 85227
- DTXSID
DTXSID40166755- UNII
- J6AJ22VUT4
- EC Number
- 240-124-4
- Nikkaji
- J219.926B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 91 · 91-93 °C(Press: 9 Torr)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 6.56 · 6.56±0.20(Predicted)
- LogP
- 1.862 · 1.862 (est)
- FDA UNII
- 6 AJ22VUT4 · J6AJ22VUT4
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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