Ethylenimine Details
:
IUPAC Name
aziridine
:Chemical Class
:CAS Registry Number
151-56-4
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 9033 |
| Molecular Weight (g/mol) | 43.0678 |
| Molecular Formula | C2H5N |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | aziridine |
| Canonical SMILES | C1CN1 |
| PUBCHEM IUPAC INCHIKEY | NOWKCMXCCJGMRR-UHFFFAOYSA-N |
| Solubility Level | 5 |
| Vapour Pressure | 2.336 |
Absorption and Metabolism information
| XLOGP3 AA | -0.4 |
| CACTVS TPSA | 21.9 |
| BBB Level | 4 |
| Absorption Level | 2 |
| EXT PPB#Prediction | 0 |
| AlogP98 | -0.398 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-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 | 0.104517 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes | ACOT8,CES1,PLA2G4A,ACOT2,ACOT4,ACOT7,BAAT,ACOX1,PLA2G1B,PLA2G2A,PLA2G6,ACAA1,PLA2G4B,PLA2G10,PLA2G12A,PLA2G12B,PLA2G2D,PLA2G2E,PLA2G2F,PLA2G5,PLA2G3,ACSL1,HSD17B4,PPARG,SOAT1 |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
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 | 151-56-4 | Ethylenimine |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Mulethi | Mishri | Glucyrrhiza glabra mulethi essential oil |
Compound Image
2D Structure
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