N,N-Dimethylphenethylamine Details
: IUPAC Name
:Chemical Class
:CAS Registry Number
1126-71-2
:Description
:Fragrance Type
Sweet
Physical and Chemical properties
PUBCHEM ID | 25125 |
Molecular Weight (mg/mol) | 149.237 |
Molecular Formula | C10H15N |
Hydrogen Bond Donor Count | NA |
Hydrogen Bond Acceptor Count | NA |
Rotatable Bond Count | NA |
IUPAC Name | |
Canonical SMILES | CN(C)CCc1ccccc1 |
PUBCHEM IUPAC INCHIKEY | TXOFSCODFRHERQ-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | -0.9 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | NA |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.224 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Non-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 0.683544 |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 0 |
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 |
1126-71-2 |
NA |
NA |
NA |
NA |
NA |