4-Pyridinamine Details
:
IUPAC Name
pyridin-4-amine
:Chemical Class
:CAS Registry Number
504-24-5
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 1727 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 94.1145 |
| Molecular Formula | C5H6N2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| IUPAC Name | pyridin-4-amine |
| Canonical SMILES | Nc1ccncc1 |
| PUBCHEM IUPAC INCHIKEY | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -1.277 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 38.9 |
| BBB Level | 3 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | -0.068 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Single-Carcinogen |
| Mouse Male FDA | Single-Carcinogen |
| Rat Female FDA | Multi-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 0.356592 g/kg_body_weight |
| Ocular Irritancy | Moderate |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | None |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 504-24-5 | 4-Pyridinamine |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Mulethi | Mishri | Glucyrrhiza glabra mulethi |
Compound Image
2D Structure
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