L-Leucine Details
:
IUPAC Name
L-Leucine
:Chemical Class
:CAS Registry Number
52-90-4
:Description
:Fragrance Type
no aroma
Physical and Chemical properties
| PUBCHEM ID | 6106 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 131.177 |
| Molecular Formula | C3H7NO2S |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| IUPAC Name | L-Leucine |
| Canonical SMILES | N[C@@H](CS)C(=O)O |
| PUBCHEM IUPAC INCHIKEY | XUJNEKJLAYXESH-REOHCLBHSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -4.273 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 100.61 |
| BBB Level | 3 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 0.549 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-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 | 1.06288 |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Image
2D Structure
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