N-Nonadecanol Details
: IUPAC Name
nonadecane
:Chemical Class
:CAS Registry Number
629-92-5
:Description
:Fragrance Type
Physical and Chemical properties
PUBCHEM ID | 12401 |
Molecular Weight (mg/mol) | 268.521 |
Molecular Formula | C19H40 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 16 |
IUPAC Name | nonadecane |
Canonical SMILES | CCCCCCCCCCCCCCCCCCC |
PUBCHEM IUPAC INCHIKEY | LQERIDTXQFOHKA-UHFFFAOYSA-N |
Solubility Level | 1 |
Vapour Pressure | -4.404 |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | 0 |
BBB Level | 4 |
Absorption Level | 3 |
EXT PPB#Prediction | 1 |
AlogP98 | 9.039 |
EXT CYP2D6#Prediction | 1 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 15.5485 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | |
Ecological Information
Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Severe |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|
1 | | |
|
629-92-5 |
N-Nonadecanol |
Plant Variety and Essential oils