2,6-Dimethylpyrazine Details
: IUPAC Name
2,6-dimethylpyrazine
:Chemical Class
:CAS Registry Number
108-50-9
:Description
:Fragrance Type
coffee
Physical and Chemical properties
PUBCHEM ID | 7938 |
Molecular Weight (mg/mol) | 108.141 |
Molecular Formula | C6H8N2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
IUPAC Name | 2,6-dimethylpyrazine |
Canonical SMILES | Cc1cncc(C)n1 |
PUBCHEM IUPAC INCHIKEY | HJFZAYHYIWGLNL-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | -0.065 |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | 25.8 |
BBB Level | 4 |
Absorption Level | 1 |
EXT PPB#Prediction | 0 |
AlogP98 | 0.094 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Multi-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 0.737766 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | |
Ecological Information
Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
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1 |
108-50-9 |
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2 |
108-50-9 |
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3 |
108-50-9 |
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