NITROETHANE

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 Search

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

Title	Date	PubMed
A dendritic active site: catalysis of the Henry reaction.	2001 Oct 4	11573998
Cloning, expression and characterization of a gene encoding nitroalkane-oxidizing enzyme from Streptomyces ansochromogenes.	2002 Dec	12473127
Exploitation of a library of alpha-galactosidases for the synthesis of building blocks for glycopolymers.	2002 Jan 5	11745178
Inactivation of nitroalkane oxidase upon mutation of the active site base and rescue with a deprotonated substrate.	2003 Jul 23	12862464
Establishing the kinetic competency of the cationic imine intermediate in nitroalkane oxidase.	2005 Feb 23	15713081
Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine.	2005 Oct 13	16853443
Growth inhibition by nitrocompounds of selected uric acid-utilizing microorganisms isolated from poultry manure.	2006	16393898
Synthesis of multisubstituted quinolines from Baylis-Hillman adducts obtained from substituted 2-chloronicotinaldehydes and their antimicrobial activity.	2006 Jul 1	16510289
Probing the chemical steps of nitroalkane oxidation catalyzed by 2-nitropropane dioxygenase with solvent viscosity, pH, and substrate kinetic isotope effects.	2006 Nov 21	17105207
Is there a general rule for the gauche effect in the conformational isomerism of 1,2-disubstituted ethanes?	2007 Aug 2	17616112
Negative ions of nitroethane and its clusters.	2008 Aug 14	18715070
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	17722009
Theoretical study of the nitroalkane thermolysis. 1. Computation of the formation enthalpy of the nitroalkanes, their isomers and radical products.	2008 May 15	18422293
(E)-2-(2-Nitro-prop-1-en-yl)furan.	2009 Jul 31	21583722
(E)-1-Bromo-4-(2-nitro-prop-1-en-yl)benzene.	2009 Nov 21	21578889
Bifunctional heterogeneous catalysis of silica-alumina-supported tertiary amines with controlled acid-base interactions for efficient 1,4-addition reactions.	2009 Oct 19	19746475
Effects of the methane-inhibitors nitrate, nitroethane, lauric acid, Lauricidin and the Hawaiian marine algae Chaetoceros on ruminal fermentation in vitro.	2009 Sep	19362827
Identification of a hypothetical protein from Podospora anserina as a nitroalkane oxidase.	2010 Jun 22	20481475
1-Nitro-4-(2-nitro-prop-1-en-yl)benzene.	2010 Jun 26	21587993
trans-2-(2-Nitro-1-phenyl-eth-yl)cyclo-hexa-none.	2010 Nov 13	21589437

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:10:57 GMT 2025` Edited by `admin` on `Mon Mar 31 21:10:57 GMT 2025`
Record UNII	6KEL3ZAU0V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NITROETHANE

Official Name

English

NSC-8800

Preferred Name

English

NITROETHANE [HSDB]

Common Name

English

NITROETHANE [MI]

Common Name

English

ETHANE, NITRO-

Systematic Name

English

Classification Tree Code System Code

DEA NO.

6724