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CHEBI:16037 - 2-nitropropane
| Formula | C3H7NO2 |
| Net Charge | 0 |
| Average Mass | 89.094 |
| Monoisotopic Mass | 89.04768 |
| SMILES | CC(C)[N+](=O)[O-] |
| InChI | InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 |
| InChIKey | FGLBSLMDCBOPQK-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. |
| Biological Roles: | carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. hepatotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Application: | polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| 2-nitropropane (CHEBI:16037) has role carcinogenic agent (CHEBI:50903) |
| 2-nitropropane (CHEBI:16037) has role hepatotoxic agent (CHEBI:50908) |
| 2-nitropropane (CHEBI:16037) has role polar aprotic solvent (CHEBI:48358) |
| 2-nitropropane (CHEBI:16037) has role xenobiotic (CHEBI:35703) |
| 2-nitropropane (CHEBI:16037) is a secondary nitroalkane (CHEBI:139218) |
| IUPAC Name |
|---|
| 2-nitropropane |
| Synonyms | Source |
|---|---|
| 2-Nitropropane | KEGG COMPOUND |
| i-C3H7NO2 | NIST Chemistry WebBook |
| isonitropropane | NIST Chemistry WebBook |
| dimethylnitromethane | NIST Chemistry WebBook |
| sec-nitropropane | NIST Chemistry WebBook |
| Citations |
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