Methyl Anthranilate Details
:
IUPAC Name
methyl 2-aminobenzoate
:Chemical Class
Alcohol
:CAS Registry Number
134-20-3
:Description
:Fragrance Type
orange
Physical and Chemical properties
| PUBCHEM ID | 8635 |
| Molecular Weight (g/mol) | 151.163 |
| Molecular Formula | C8H9NO2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| IUPAC Name | methyl 2-aminobenzoate |
| Canonical SMILES | COC(=O)c1ccccc1N |
| PUBCHEM IUPAC INCHIKEY | VAMXMNNIEUEQDV-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -1.966 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 52.3 |
| BBB Level | 3 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 0.938 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 5.96804 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | KYNU,HAAO,CAT,MAPK1,CCK,PLA2G2A,METAP2,AFMID,CTSB,GMPS,MMP2,BMP6,TTR,TGFB1,KNG1,CCKAR,DHODH,PGK1,TRPM2,KMO,DAO,AKR1C1,KLK1,CTSL,TGFB2 |
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. | 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 | 134-20-3 | Methyl Anthranilate |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Rajanigandha | Polianthes tuberosa essential oil |
Compound Image
2D Structure
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