Details
Stereochemistry | ACHIRAL |
Molecular Formula | C8H7N |
Molecular Weight | 117.1479 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
N#CCC1=CC=CC=C1
InChI
InChIKey=SUSQOBVLVYHIEX-UHFFFAOYSA-N
InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
Molecular Formula | C8H7N |
Molecular Weight | 117.1479 |
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 |
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Mechanistic and structural studies on Rhodococcus ATCC 39484 nitrilase. | 1992 Jun |
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Boundary conditions on the partitioning of deaminatively generated benzyl cations. | 2001 Apr 20 |
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An assessment of the release of inorganic cyanide from the fragrance materials benzyl cyanide, geranyl nitrile and citronellyl nitrile applied dermally to the rat. | 2001 Feb |
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Urinary thiocyanate levels as a biomarker for the generation of inorganic cyanide from benzyl cyanide in the rat. | 2001 Feb |
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Juvenile-hormone-mediated plasticity of aggregation behaviour and olfactory processing in adult desert locusts. | 2001 Jan |
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Benzyl isothiocyanate is the chief or sole anthelmintic in papaya seed extracts. | 2001 Jun |
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Molecular characterisation of organic material in air fine particles (PM10) using conventional and reactive pyrolysis-gas chromatography-mass spectrometry. | 2002 Apr |
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(n-Nitrophenyl)acetonitrile, with n = 2, 3 and 4. | 2002 Aug |
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Selective mono-C-methylations of arylacetonitriles and arylacetates with dimethylcarbonate: a mechanistic investigation. | 2002 Feb 22 |
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Structural and vibrational characterization of the mono and dilithiated species derived from phenylacetonitrile in THF by infrared and Raman spectroscopy and density functional theory calculations. | 2002 Jul |
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4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile. | 2002 Mar |
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A comprehensive investigation of the chemistry and basicity of a parent amidoruthenium complex. | 2002 May 1 |
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Thermodynamics, kinetics, and dynamics of the two alternative aniomesolytic fragmentations of C-O bonds: an electrochemical and theoretical study. | 2002 May 1 |
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Flash vacuum pyrolysis over solid catalysts. 2. pyrazoles over hydrotalcites. | 2002 Nov 15 |
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LC-MS/MS determination of a farnesyl transferase inhibitor in human plasma and urine. | 2002 Nov 7 |
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Composition of the essential oil of Lepidium meyenii (Walp). | 2002 Sep |
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A ring walk of methylene groups in toluene radical cations. An extension of the toluene-cycloheptatriene rearrangement of aromatic radical cations. Theory and experiment. | 2003 |
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16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3beta-ol. | 2003 Apr |
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Fluoride-induced chemiluminescent decomposition of 1,2-dioxetanes bearing a phenyl moiety substituted with a methyl having an electron-withdrawing group. | 2003 Feb 21 |
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Ultrasound promoted C-alkylation of benzyl cyanide--effect of reactor and ultrasound parameters. | 2003 Jul |
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Antiaphrodisiacs in pierid butterflies: a theme with variation! | 2003 Jun |
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Improved reagent for electrophilic amination of stabilized carbanions. | 2003 Oct 30 |
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Chemical communication: butterfly anti-aphrodisiac lures parasitic wasps. | 2005 Feb 17 |
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Regulation of aldoxime dehydratase activity by redox-dependent change in the coordination structure of the aldoxime-heme complex. | 2005 Feb 18 |
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Construction of 3D models of the CYP11B family as a tool to predict ligand binding characteristics. | 2007 Aug |
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Stereoselective quaternization of alpha-amino phenylacetonitriles mediated by a remote sulfinyl group. | 2007 Aug 3 |
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Comparison of the volatile composition in thyme honeys from several origins in Greece. | 2007 Oct 3 |
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Uniformly sized molecularly imprinted polymers for d-chlorpheniramine: influence of a porogen on their morphology and enantioselectivity. | 2008 Apr 14 |
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A new nitrilase from Bradyrhizobium japonicum USDA 110. Gene cloning, biochemical characterization and substrate specificity. | 2008 Feb 1 |
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Concentration-dependent parsimonious releaser roles of gregarious male pheromone of the desert locust, Schistocerca gregaria. | 2008 Jan |
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Electronic and vibrational spectroscopic investigation of phenylacetylene-amine complexes. Evidence for the diversity in the intermolecular structures. | 2008 May 15 |
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Utilization of arylaliphatic nitriles by haloalkaliphilic Halomonas nitrilicus sp. nov. isolated from soda soils. | 2008 Nov |
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Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate. | 2009 Apr 30 |
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Phenology of semiochemical-mediated host foraging by the western boxelder bug, Boisea rubrolineata, an aposematic seed predator. | 2009 Jan |
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Isolation of identical nitrilase genes from multiple bacterial strains and real-time PCR detection of the genes from soils provides evidence of horizontal gene transfer. | 2009 Oct |
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Isocyanides inhibit human heme oxygenases at the verdoheme stage. | 2009 Sep 22 |
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Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401. | 2010 Jul |
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Chemical ecology of obligate pollination mutualisms: testing the 'private channel' hypothesis in the Breynia-Epicephala association. | 2010 Jun |
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Mechanical activation of catalysts for C-C bond forming and anionic polymerization reactions from a single macromolecular reagent. | 2010 Nov 24 |
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Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others. | 2010 Sep |
Patents
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:47:28 GMT 2023
by
admin
on
Fri Dec 15 17:47:28 GMT 2023
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Record UNII |
23G40PRP93
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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DEA NO. |
8735
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2103
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8794
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DTXSID2021492
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m2404
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205-410-5
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118418
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C006725
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25979
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140-29-4
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23G40PRP93
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BENZYL CYANIDE
Created by
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Related Record | Type | Details | ||
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IMPURITY -> PARENT |
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (GC)
EP
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