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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
Inactivation of nitroalkane oxidase upon mutation of the active site base and rescue with a deprotonated substrate.
2003 Jul 23
Functionalized macrocycles from functionalized tetra-amines: pendent-arm macrocycles derived from dichloropivalic acid.
2004 Mar 8
Nitroalkane oxidase, a carbanion-forming flavoprotein homologous to acyl-CoA dehydrogenase.
2005 Jan 1
Effect of polymer chain in coexisting liquid phases by refractive index measurements.
2005 Jul 8
Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine.
2005 Oct 13
Effect of oral nitroethane and 2-nitropropanol administration on methane-producing activity and volatile fatty acid production in the ovine rumen.
2006 Dec
Zoonotic bacterial populations, gut fermentation characteristics and methane production in feedlot steers during oral nitroethane treatment and after the feeding of an experimental chlorate product.
2007 Feb
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
Frozen natural orbital coupled-cluster theory: forces and application to decomposition of nitroethane.
2008 Apr 28
Vibrational spectroscopy of nitroalkane chains using electron autodetachment and ar predissociation.
2008 Aug 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
A new route to multifunctionalized p-terphenyls and heteroaryl analogues via [5C + 1C(N)] annulation strategy.
2009 Jan 16
(E)-5-(2-Nitro-prop-1-en-yl)-2,3-dihydro-1-benzofuran.
2009 Jun 27
Hydrolase-catalyzed fast Henry reaction of nitroalkanes and aldehydes in organic media.
2010 Feb 1
Toxicological methods for tracing drug abuse: chromatographic, spectroscopic and biological characterisation of ecstasy derivatives.
2010 Mar
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:14:42 GMT 2023
Edited
by admin
on Sat Dec 16 02:14:42 GMT 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 Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
Code System Code Type Description
MESH
C014705
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
PUBCHEM
6587
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
NSC
8800
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
CAS
79-24-3
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
WIKIPEDIA
NITROETHANE
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
HSDB
105
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID8020969
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
FDA UNII
6KEL3ZAU0V
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-188-9
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
MERCK INDEX
m7954
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY Merck Index
CHEBI
16268
Created by admin on Sat Dec 16 02:14:42 GMT 2023 , Edited by admin on Sat Dec 16 02:14:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT->PRECURSOR