2,6-Diethylpyrazine
Basic information
- CAS
13067-27-1- Standard SMILES
CCc1cncc(CC)n1- InChIKey
QDWOWLUANUBTGE-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Overview
2,6-Diethylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 2,6-Diethylpyrazine
- IUPAC
- 2,6-diethylpyrazine
- English name
- 2,6-Diethylpyrazine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
2,6-Diethylpyrazine13067-27-1Pyrazine, 2,6-diethyl-2,6-diethyl-pyrazineE1M79S9DNIUNII-E1M79S9DNIDTXSID801566702,6-diethyl pyrazineRefChem:83216DTXCID7079161603-430-2QDWOWLUANUBTGE-UHFFFAOYSA-N
Show more names
2,6-Diethylpyrazine (contains ~10% inorganics)MFCD18447729SCHEMBL830961SCHEMBL3942618CHEBI:192305NAA06727AKOS006372474NS00024121
Database identifiers
- CAS
13067-27-1- PubChem CID
- 83101
- DTXSID
DTXSID80156670- ChEBI
CHEBI:192305- UNII
- E1M79S9DNI
- EC Number
- 603-430-2
- Nikkaji
- J101.206A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 83.3
Physicochemical properties
- Boiling point
- 189.1 · 189.1±35.0 °C(Predicted)
- Density
- 0.962 · 0.962±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- pka
- 2.32 · 2.32±0.10(Predicted)
- color
- Light Yellow to Yellow
- LogP
- 1.706 · 1.706 (est)
- FDA UNII
- 1 M79S9DNI · E1M79S9DNI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 2,6-Diethylpyrazine is a member of pyrazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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