2-nitroethanol Details
: IUPAC Name
2-nitroethanol
:Chemical Class
:CAS Registry Number
:Description
:Fragrance Type
Physical and Chemical properties
PUBCHEM ID | 12252 |
Molecular Weight (mg/mol) | 91.066 |
Molecular Formula | C2H5NO3 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | |
IUPAC Name | 2-nitroethanol |
Canonical SMILES | O=N(=O)CCO |
PUBCHEM IUPAC INCHIKEY | InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2 |
Solubility Level | |
Vapour Pressure | |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | |
BBB Level | |
Absorption Level | |
EXT PPB#Prediction | |
AlogP98 | |
EXT CYP2D6#Prediction | |
Toxicological Information
Mouse Female FDA | |
Mouse Male FDA | |
Rat Female FDA | |
Rat Male FDA | |
Ames Prediction | |
Developmental / Reproductive Toxicity | |
Rat Oral LD50 | |
Ocular Irritancy | |
Hepatotoxic#Prediction | |
Effected Human Genes | |
Ecological Information
Aerobic Biodegradability Prediction | |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
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1 |
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Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
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Plant Variety and Essential oils