2-Aminoacetophenone Details
: IUPAC Name
2-amino-1-phenylethanone
:Chemical Class
Ketone
:CAS Registry Number
613-89-8
:Description
:Fragrance Type
almond
Physical and Chemical properties
PUBCHEM ID | 11952 |
Molecular Weight (mg/mol) | 135.163 |
Molecular Formula | C8H9NO |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
IUPAC Name | 2-amino-1-phenylethanone |
Canonical SMILES | NCC(=O)c1ccccc1 |
PUBCHEM IUPAC INCHIKEY | HEQOJEGTZCTHCF-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | -2.226 |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | 43.1 |
BBB Level | 3 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 0.608 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 0.275243 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | |
Ecological Information
Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | None |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
---|
1 |
613-89-8 |
NA |
NA |
NA |
NA |
NA |
Plant Variety and Essential oils