2-Isobutyl-3,6-dimethyl-pyrazine
Basic information
- CAS
32736-94-0- Standard SMILES
Cc1cnc(C)c(CC(C)C)n1- InChIKey
KEJOEQXAEQCAKT-UHFFFAOYSA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134852
Overview
2,5-dimethyl-3-(2-methylpropyl)pyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 2-Isobutyl-3,6-dimethyl-pyrazine
- IUPAC
- 2,5-dimethyl-3-(2-methylpropyl)pyrazine
- English name
- 2,5-Dimethyl-3-(2-methylpropyl)pyrazine
- Molecular formula
- C10H16N2
- Molecular weight
- 164.25
Names & synonyms
2,5-dimethyl-3-(2-methylpropyl)pyrazine32736-94-02,5-Dimethyl-3-isobutylpyrazinePyrazine, 2,5-dimethyl-3-(2-methylpropyl)-Pyrazine, 3-isobutyl-2,5-dimethyl-2-Isobutyl-3,6-dimethyl-pyrazine2,5-Dimethyl-6-isobutylpyrazineFEMA No. 4100, 3,6-dimethyl-3-Isobutyl-2,5-dimethylpyrazine3-(2-Methylpropyl)-2,5-dimethylpyrazine17J126RD59DTXSID30186407
Show more names
RefChem:82941DTXCID00108898UNII-17J126RD59SCHEMBL3458549SCHEMBL311058493,6-Dimethyl-2-isobutylpyrazineCHEBI:207389KEJOEQXAEQCAKT-UHFFFAOYSA-N
Database identifiers
- CAS
32736-94-0- PubChem CID
- 520585
- DTXSID
DTXSID30186407- ChEBI
CHEBI:207389- UNII
- 17J126RD59
- Nikkaji
- J101.509E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Boiling point
- 222.4 · 222.4±35.0 °C(Predicted)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- pka
- 2.48 · 2.48±0.10(Predicted)
- LogP
- 2.511 · 2.511 (est)
- Substances Added to Food (formerly EAFUS)
- 3 · 3,6-DIMETHYL-2-ISOBUTYLPYRAZINE
- FDA UNII
- 17 J126RD59 · 17J126RD59
Chemistry & industry
Upstream & downstream products
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