PUBCHEM ID | 7060 |
CAS Registry Number | 0.0 |
Aroma Threshold | 0.0 |
Molecular Weight (g/mol) | 143.185 |
Molecular Formula | C10H9N |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
IUPAC Name | 2-methylquinoline |
Canonical SMILES | Cc2ccc1ccccc1n2 |
PUBCHEM IUPAC INCHIKEY | SMUQFGGVLNAIOZ-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | -1.948 |
XLOGP3 AA | |
CACTVS TPSA | 12.9 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.298 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Single-Carcinogen |
Mouse Male FDA | Single-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Single-Carcinogen |
Ames Prediction | Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 1.60997 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 1 |
Effected Human Genes |
Aerobic Biodegradability Prediction | Non-Degradable |
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 91-63-4 | Methyl Quinoline |
Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
---|---|---|---|---|
1 | Vetiver, Khus | Kesari | Vetiveria zizanoides Kesari essential oil | |
2 | Vetiver, Khus | KS-1 | Vetiveria zizanoides KS-1essential oil |