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
Purification, characterization, and mechanism of a flavin mononucleotide-dependent 2-nitropropane dioxygenase from Neurospora crassa.	1998 Mar	9501443
2-Nitropropane.	2002	15326694
Inhibition of 2-nitropropane-induced cellular proliferation, DNA synthesis and histopathological changes by melatonin.	2002 Aug	12195237
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 Aug 9	12153265
Organocatalytic asymmetric conjugate addition of nitroalkanes to alpha,beta-unsaturated enones using novel imidazoline catalysts.	2002 Nov 29	12444609
Induction of DNA polymerase beta-dependent base excision repair in response to oxidative stress in vivo.	2002 Sep	12189182
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 Sep 4	12509275
Evaluation of carcinogenic responses in the Eker rat following short-term exposure to selected nephrotoxins and carcinogens.	2002 Sep-Oct	12371664
Caloric restriction promotes genomic stability by induction of base excision repair and reversal of its age-related decline.	2003 Mar 1	12547392
2-Nitropropane.	2004	21089925
Gas-phase ion-molecule reactions of small nitroalkanes and their deprotonated anions.	2004	15103100
Spectroscopic studies of the molecular interactions in n-ethylamines and 2-nitropropane/n-ethylamine mixtures.	2004 Jan	14670495
Affinity chromatographic selection of carbonylated proteins followed by identification of oxidation sites using tandem mass spectrometry.	2005 Apr 15	15828771
Involvement of a flavosemiquinone in the enzymatic oxidation of nitroalkanes catalyzed by 2-nitropropane dioxygenase.	2005 Feb 18	15582992
Protective effect of diphenyl diselenide on acute liver damage induced by 2-nitropropane in rats.	2005 May 15	15804453
Probing the "additive effect" in the proline and proline hydroxamic acid catalyzed asymmetric addition of nitroalkanes to cyclic enones.	2005 Nov	16189834
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 Dec 15	17070881
Crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate. Identification of the catalytic base.	2006 Jul 7	16682407
Acute liver damage induced by 2-nitropropane in rats: effect of diphenyl diselenide on antioxidant defenses.	2006 Mar 25	16445897
Age-related loss of the DNA repair response following exposure to oxidative stress.	2006 May	16720738
Optimization of the catalytic asymmetric addition of nitroalkanes to cyclic enones with trans-4,5-methano-L-proline.	2006 Oct 12	17020303
Synthesis of alpha,beta-unsaturated ketones as chalcone analogues via a S(RN)1 mechanism.	2007 Apr 18	17851431
Carbanion reactivity, kinetic and equilibrium studies of sigma-adduct formation and elimination in the reactions of 4-nitrobenzofurazan derivatives with nitroalkane anions.	2007 May 21	17571196
Renal deterioration caused by carcinogens as a consequence of free radical mediated tissue damage: a review of the protective action of melatonin.	2007 Oct	17823789
Mutagenicity of N-nitrosodiethanolamine in a V79-derived cell line expressing two human biotransformation enzymes.	2008 Aug 25	18616954
Photodissociation dynamics of 2-nitropropane and 2-methyl-2-nitropropane at 248 and 193 nm.	2008 Dec 11	19053556
Cetalox and analogues: synthesis via acid-mediated polyene cyclizations.	2008 Jun	18618391
Oxidation of alkyl nitronates catalyzed by 2-nitropropane dioxygenase from Hansenula mrakii.	2008 May 1	18329375
Analysis of the effects of exposure to acute hypoxia on oxidative lesions and tumour progression in a transgenic mouse breast cancer model.	2008 May 28	18507854
Smoke chemistry, in vitro and in vivo toxicology evaluations of the electrically heated cigarette smoking system series K.	2008 Nov	18590791
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 Dec 10	20003296
Oxidative stress alters base excision repair pathway and increases apoptotic response in apurinic/apyrimidinic endonuclease 1/redox factor-1 haploinsufficient mice.	2009 Jun 1	19268524
Introduction of trifluoromethyl group into diphenyl diselenide molecule alters its toxicity and protective effect against damage induced by 2-nitropropane in rats.	2009 May	18818063
Potent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design.	2009 Nov 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 Sep 14	19751498
3-Alkynyl selenophene protects against carbon-tetrachloride-induced and 2-nitropropane-induced hepatic damage in rats.	2010 Dec	20397041
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 Jan	20136876
Protective effect of binaphthyl diselenide, a synthetic organoselenium compound, on 2-nitropropane-induced hepatotoxicity in rats.	2010 Jun	20517888
The complete genome sequence of Cupriavidus metallidurans strain CH34, a master survivalist in harsh and anthropogenic environments.	2010 May 5	20463976
Cytochrome P450 reductase: a harbinger of diffusible reduced oxygen species.	2010 Oct 13	20967245
New short term prediction method for chemical carcinogenicity by hepatic transcript profiling following 28-day toxicity tests in rats.	2011	22084566

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:41:32 GMT 2023` Edited by `admin` on `Fri Dec 15 16:41:32 GMT 2023`
Record UNII	GKV234L2QH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-NITROPROPANE

Systematic 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

NSC-5369

Code

English

Classification Tree Code System Code

EPA PESTICIDE CODE

600029