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Details

Stereochemistry ACHIRAL
Molecular Formula C2H5NO2
Molecular Weight 75.0666
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROETHANE

SMILES

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

InChI

InChIKey=MCSAJNNLRCFZED-UHFFFAOYSA-N
InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula C2H5NO2
Molecular Weight 75.0666
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Human beta3 adrenergic receptor agonists containing cyanoguanidine and nitroethylenediamine moieties.
2001 Feb 12
Homotropic cooperative binding of organic solvent vapors by solid trypsin.
2001 Feb 9
Synthesis of 1-(2-deoxy-beta-D-ribofuranosyl)-2,4-difluoro-5-substituted-benzene thymidine mimics, some related alpha-anomers, and their evaluation as antiviral and anticancer agents.
2001 Jan-Feb
Synthesis of high-specific-radioactivity 4- and 6-[18F]fluorometaraminol-PET tracers for the adrenergic nervous system of the heart.
2001 Mar
A dendritic active site: catalysis of the Henry reaction.
2001 Oct 4
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
Cloning, expression and characterization of a gene encoding nitroalkane-oxidizing enzyme from Streptomyces ansochromogenes.
2002 Dec
Exploitation of a library of alpha-galactosidases for the synthesis of building blocks for glycopolymers.
2002 Jan 5
Inactivation of nitroalkane oxidase upon mutation of the active site base and rescue with a deprotonated substrate.
2003 Jul 23
Effect of select nitrocompounds on ruminal fermentation; an initial look at their potential to reduce economic and environmental costs associated with ruminal methanogenesis.
2003 Oct
Electrophilicity parameters for benzylidenemalononitriles.
2003 Sep 5
Spin trapping of nitric oxide by aci anions of nitroalkanes.
2004 Mar
Functionalized macrocycles from functionalized tetra-amines: pendent-arm macrocycles derived from dichloropivalic acid.
2004 Mar 8
Comparison of enzymatic and non-enzymatic nitroethane anion formation: thermodynamics and contribution of tunneling.
2004 May 26
Enantioselective synthesis of allenyl carbinols by the CBS reduction in nitroethane: dramatic solvent effect for reactivity and enantioselectivity.
2004 Nov 7
Establishing the kinetic competency of the cationic imine intermediate in nitroalkane oxidase.
2005 Feb 23
Nitroalkane oxidase, a carbanion-forming flavoprotein homologous to acyl-CoA dehydrogenase.
2005 Jan 1
Growth inhibition by nitrocompounds of selected uric acid-utilizing microorganisms isolated from poultry manure.
2006
Synthesis of multisubstituted quinolines from Baylis-Hillman adducts obtained from substituted 2-chloronicotinaldehydes and their antimicrobial activity.
2006 Jul 1
Inhibitory effect of select nitrocompounds on growth and survivability of Listeria monocytogenes in vitro.
2006 May
Is there a general rule for the gauche effect in the conformational isomerism of 1,2-disubstituted ethanes?
2007 Aug 2
Effects of nitrate or nitro supplementation, with or without added chlorate, on Salmonella enterica serovar Typhimurium and Escherichia coli in swine feces.
2007 Feb
Effects of short-chain nitrocompounds against Campylobacter jejuni and Campylobacter coli in vitro.
2007 Mar
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
Ab initio, density functional theory, and continuum solvation model prediction of the product ratio in the S(N)2 reaction of NO2(-) with CH3CH2Cl and CH3CH2Br in DMSO solution.
2007 Oct 11
Thermochemistry of methyl and ethyl nitro, RNO2, and nitrite, RONO, organic compounds.
2008 Apr 10
Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water.
2008 Mar
Novel bifunctional chiral thiourea catalyzed highly enantioselective aza-Henry reaction.
2008 May 1
Theoretical study of the nitroalkane thermolysis. 1. Computation of the formation enthalpy of the nitroalkanes, their isomers and radical products.
2008 May 15
Level of expression of the nonmutant Ferrochelatase allele is a determinant of biochemical phenotype in a mouse model of erythropoietic protoporphyria.
2008 May 29
Crystal structures of intermediates in the nitroalkane oxidase reaction.
2009 Apr 21
Switchable performance of an L-proline-derived basic catalyst controlled by supramolecular gelation.
2009 Aug 19
The Henry reaction of (1R)-(1,4:3,6-dianhydro-D-mannitol-2-yl)-1,4:3,6-dianhydro-D-fructose 5,5'-dinitrate. Different reactive features of nitromethane to nitroethane.
2009 Dec 14
Monensin causes dose dependent inhibition of Mycobacterium avium subspecies paratuberculosis in radiometric culture.
2009 Feb 9
A new route to multifunctionalized p-terphenyls and heteroaryl analogues via [5C + 1C(N)] annulation strategy.
2009 Jan 16
(E)-2-(2-Nitro-prop-1-en-yl)furan.
2009 Jul 31
(E)-5-(2-Nitro-prop-1-en-yl)-2,3-dihydro-1-benzofuran.
2009 Jun 27
(E)-1-Bromo-4-(2-nitro-prop-1-en-yl)benzene.
2009 Nov 21
Effects of the methane-inhibitors nitrate, nitroethane, lauric acid, Lauricidin and the Hawaiian marine algae Chaetoceros on ruminal fermentation in vitro.
2009 Sep
Pd-catalyzed cross-coupling of carboxylic acids with nitroethane via combination of decarboxylation and dehydrogenation.
2010 Aug 14
Hydrolase-catalyzed fast Henry reaction of nitroalkanes and aldehydes in organic media.
2010 Feb 1
Synthesis and properties of chiral pyrazolidines derived from (+)-pulegone.
2010 Jul 5
Characterization of active site residues of nitroalkane oxidase.
2010 Jun
delta(13)C and delta(2)H isotope ratios in amphetamine synthesized from benzaldehyde and nitroethane.
2010 Jun 15
Identification of a hypothetical protein from Podospora anserina as a nitroalkane oxidase.
2010 Jun 22
1-Nitro-4-(2-nitro-prop-1-en-yl)benzene.
2010 Jun 26
trans-2-(2-Nitro-1-phenyl-eth-yl)cyclo-hexa-none.
2010 Nov 13
Formation of multi-stereogenic centers using a catalytic diastereoselective Henry reaction.
2010 Nov 14
Patents
Substance Class Chemical
Created
by admin
on Thu Jul 06 08:29:34 UTC 2023
Edited
by admin
on Thu Jul 06 08:29:34 UTC 2023
Record UNII
6KEL3ZAU0V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITROETHANE
HSDB   INCI   MI  
INCI  
Official Name English
NITROETHANE [HSDB]
Common Name English
NSC-8800
Code English
NITROETHANE [MI]
Common Name English
ETHANE, NITRO-
Systematic Name English
NITROETHANE [INCI]
Common Name English
Classification Tree Code System Code
DEA NO. 6724
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
Code System Code Type Description
MESH
C014705
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
PUBCHEM
6587
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
NSC
8800
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
CAS
79-24-3
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
WIKIPEDIA
NITROETHANE
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
HSDB
105
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID8020969
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
FDA UNII
6KEL3ZAU0V
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-188-9
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
MERCK INDEX
M7954
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY Merck Index
CHEBI
16268
Created by admin on Thu Jul 06 08:29:34 UTC 2023 , Edited by admin on Thu Jul 06 08:29:34 UTC 2023
PRIMARY
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