2-nitropropane (CHEBI:16037)

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ChEBI Name	2-nitropropane

ChEBI ID	CHEBI:16037

Definition	A secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120°C).

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:44443, CHEBI:1226, CHEBI:11632, CHEBI:19727

Supplier Information	ChemicalBook:CB4854412, eMolecules:480469, ZINC000005167659

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Wikipedia	License
2-Nitropropane (2-NP) is an organic compound with the formula (CH3)2CH(NO2). It is used as a solvent. It is a colorless liquid and is classified as a nitro compound.
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Formula

C3H7NO2

Net Charge

Average Mass

89.09322

Monoisotopic Mass

89.04768

InChI

InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

InChIKey

FGLBSLMDCBOPQK-UHFFFAOYSA-N

SMILES

CC(C)[N+]([O-])=O

Roles Classification
Chemical Role(s):	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 Role(s):	hepatotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals. 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. 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(s):	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
Outgoing	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

Citations

Last Modified

13 December 2017