2,6-Dimethylpyridine Details
: IUPAC Name
:Chemical Class
:CAS Registry Number
108-48-5
:Description
:Fragrance Type
coffee like aroma
Physical and Chemical properties
PUBCHEM ID | 7937 |
Molecular Weight (mg/mol) | 107.156 |
Molecular Formula | C7H9N |
Hydrogen Bond Donor Count | NA |
Hydrogen Bond Acceptor Count | NA |
Rotatable Bond Count | NA |
IUPAC Name | |
Canonical SMILES | Cc1cccc(C)n1 |
PUBCHEM IUPAC INCHIKEY | OISVCGZHLKNMSJ-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | 0.518 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | NA |
BBB Level | 1 |
Absorption Level | 1 |
EXT PPB#Prediction | 1 |
AlogP98 | 1.244 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Single-Carcinogen |
Rat Female FDA | Multi-Carcinogen |
Rat Male FDA | Single-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 1.05469 |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | NA |
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 |
---|
1 |
108-48-5 |
NA |
NA |
NA |
NA |
NA |
2 |
108-48-5 |
NA |
NA |
NA |
NA |
NA |