2-NITROPROPANE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H7NO2
Molecular Weight	89.0932
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=FGLBSLMDCBOPQK-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C3H7NO2
Molecular Weight	89.0932
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
New short term prediction method for chemical carcinogenicity by hepatic transcript profiling following 28-day toxicity tests in rats.	2011	22084566
3-Alkynyl selenophene protects against carbon-tetrachloride-induced and 2-nitropropane-induced hepatic damage in rats.	2010-12	20397041
Cytochrome P450 reductase: a harbinger of diffusible reduced oxygen species.	2010-10-13	20967245
Protective effect of binaphthyl diselenide, a synthetic organoselenium compound, on 2-nitropropane-induced hepatotoxicity in rats.	2010-06	20517888
The complete genome sequence of Cupriavidus metallidurans strain CH34, a master survivalist in harsh and anthropogenic environments.	2010-05-05	20463976
Formaldehyde-releasers in cosmetics: relationship to formaldehyde contact allergy. Part 2. Patch test relationship to formaldehyde contact allergy, experimental provocation tests, amount of formaldehyde released, and assessment of risk to consumers allergic to formaldehyde.	2010-01	20136876
Proteome analysis of Aspergillus niger: lactate added in starch-containing medium can increase production of the mycotoxin fumonisin B2 by modifying acetyl-CoA metabolism.	2009-12-10	20003296
Potent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design.	2009-11-10	19901994
Transcriptome analysis of the responses of Staphylococcus aureus to antimicrobial peptides and characterization of the roles of vraDE and vraSR in antimicrobial resistance.	2009-09-14	19751498
Oxidative stress alters base excision repair pathway and increases apoptotic response in apurinic/apyrimidinic endonuclease 1/redox factor-1 haploinsufficient mice.	2009-06-01	19268524
Introduction of trifluoromethyl group into diphenyl diselenide molecule alters its toxicity and protective effect against damage induced by 2-nitropropane in rats.	2009-05	18818063
Photodissociation dynamics of 2-nitropropane and 2-methyl-2-nitropropane at 248 and 193 nm.	2008-12-11	19053556
Smoke chemistry, in vitro and in vivo toxicology evaluations of the electrically heated cigarette smoking system series K.	2008-11	18590791
Mutagenicity of N-nitrosodiethanolamine in a V79-derived cell line expressing two human biotransformation enzymes.	2008-08-25	18616954
Cetalox and analogues: synthesis via acid-mediated polyene cyclizations.	2008-06	18618391
Analysis of the effects of exposure to acute hypoxia on oxidative lesions and tumour progression in a transgenic mouse breast cancer model.	2008-05-28	18507854
Oxidation of alkyl nitronates catalyzed by 2-nitropropane dioxygenase from Hansenula mrakii.	2008-05-01	18329375
Renal deterioration caused by carcinogens as a consequence of free radical mediated tissue damage: a review of the protective action of melatonin.	2007-10	17823789
Carbanion reactivity, kinetic and equilibrium studies of sigma-adduct formation and elimination in the reactions of 4-nitrobenzofurazan derivatives with nitroalkane anions.	2007-05-21	17571196
Synthesis of alpha,beta-unsaturated ketones as chalcone analogues via a S(RN)1 mechanism.	2007-04-18	17851431
Differences in gene expression profiles in the liver between carcinogenic and non-carcinogenic isomers of compounds given to rats in a 28-day repeat-dose toxicity study.	2006-12-15	17070881
Optimization of the catalytic asymmetric addition of nitroalkanes to cyclic enones with trans-4,5-methano-L-proline.	2006-10-12	17020303
Crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate. Identification of the catalytic base.	2006-07-07	16682407
Age-related loss of the DNA repair response following exposure to oxidative stress.	2006-05	16720738
Acute liver damage induced by 2-nitropropane in rats: effect of diphenyl diselenide on antioxidant defenses.	2006-03-25	16445897
Probing the "additive effect" in the proline and proline hydroxamic acid catalyzed asymmetric addition of nitroalkanes to cyclic enones.	2005-11	16189834
Protective effect of diphenyl diselenide on acute liver damage induced by 2-nitropropane in rats.	2005-05-15	15804453
Affinity chromatographic selection of carbonylated proteins followed by identification of oxidation sites using tandem mass spectrometry.	2005-04-15	15828771
Involvement of a flavosemiquinone in the enzymatic oxidation of nitroalkanes catalyzed by 2-nitropropane dioxygenase.	2005-02-18	15582992
Spectroscopic studies of the molecular interactions in n-ethylamines and 2-nitropropane/n-ethylamine mixtures.	2004-01	14670495
2-Nitropropane.	2004	21089925
Gas-phase ion-molecule reactions of small nitroalkanes and their deprotonated anions.	2004	15103100
Caloric restriction promotes genomic stability by induction of base excision repair and reversal of its age-related decline.	2003-03-01	12547392
Organocatalytic asymmetric conjugate addition of nitroalkanes to alpha,beta-unsaturated enones using novel imidazoline catalysts.	2002-11-29	12444609
Evaluation of carcinogenic responses in the Eker rat following short-term exposure to selected nephrotoxins and carcinogens.	2002-10-10	12371664
OGG1 mRNA expression and incision activity in rats are higher in foetal tissue than in adult liver tissue while 8-oxo-2'-deoxyguanosine levels are unchanged.	2002-09-04	12509275
Induction of DNA polymerase beta-dependent base excision repair in response to oxidative stress in vivo.	2002-09	12189182
An efficient nitration of light alkanes and the alkyl side-chain of aromatic compounds with nitrogen dioxide and nitric acid catalyzed by N-hydroxyphthalimide.	2002-08-09	12153265
Inhibition of 2-nitropropane-induced cellular proliferation, DNA synthesis and histopathological changes by melatonin.	2002-08	12195237
2-Nitropropane.	2002	15326694
Mechanism of metal-mediated DNA damage induced by metabolites of carcinogenic 2-nitropropane.	2001-08-08	11470485
Synthesis, analysis and reduction of 2-nitropropyl starch.	2001-01-30	11217972
Purification, characterization, and mechanism of a flavin mononucleotide-dependent 2-nitropropane dioxygenase from Neurospora crassa.	1998-03	9501443

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:34:39 GMT 2025` Edited by `admin` on `Mon Mar 31 18:34:39 GMT 2025`
Record UNII	GKV234L2QH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-NITROPROPANE

Systematic Name

English

NSC-5369

Preferred Name

English

2-NITROPROPANE [IARC]

Common Name

English

DIMETHYLNITROMETHANE

Systematic Name

English

ISONITROPROPANE

Common Name

English

2-NITROPROPANE [HSDB]

Common Name

English

PROPANE, 2-NITRO

Common Name

English

NITROPROPANE, 2-

Systematic Name

English

1-METHYLNITROETHANE

Systematic Name

English

2-NITROPROPANE [MI]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

600029