2-Acetyl aniline Details
: IUPAC Name
2-Aminoacetophenone
:Chemical Class
:CAS Registry Number
551-93-9
:Description
:Fragrance Type
spicy, fruity
Physical and Chemical properties
PUBCHEM ID | 11086 |
Molecular Weight (mg/mol) | 135.167 |
Molecular Formula | C8H9NO |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
IUPAC Name | 2-Aminoacetophenone |
Canonical SMILES | CC(=O)c1ccccc1N |
PUBCHEM IUPAC INCHIKEY | GTDQGKWDWVUKTI-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | -2.394 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 35.53 |
BBB Level | 3 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 0.823 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Single-Carcinogen |
Rat Female FDA | Multi-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 1.82099 |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | NA |
Ecological Information
Aerobic Biodegradability Prediction | Non-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 |
551-93-9 |
NA |
NA |
NA |
NA |
NA |
2 |
551-93-9 |
NA |
NA |
NA |
NA |
NA |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|
1 | | |
|
551-93-9 |
2-Acetyl aniline |