Tetrabutylammonium cyanate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H36N.CNO
Molecular Weight	284.4805
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[O-]C#N.CCCC[N+](CCCC)(CCCC)CCCC

InChI

InChIKey=PEFQHPVDKJBRFF-UHFFFAOYSA-M

InChI=1S/C16H36N.CHNO/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;3H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	CNO
Molecular Weight	42.0168
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H36N
Molecular Weight	242.4637
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
The utilization of thiocyanate as a nitrogen source by a heterotrophic bacterium: the degradative pathway involves formation of ammonia and tetrathionate.	1994 Oct	8000536
Hypersensitivity pneumonitis: a comprehensive review.	2001	11436968
Role of human leukocyte antigen phenotype and exposure in development of occupational asthma.	2001 Apr	11964684
Deflavination of flavo-oxidases by nucleophilic reagents.	2001 Aug 13	11513966
Synthesis of and a comparative study on the inhibition of muscle and liver glycogen phosphorylases by epimeric pairs of d-gluco- and d-xylopyranosylidene-spiro-(thio)hydantoins and N-(d-glucopyranosyl) amides.	2001 Aug 16	11495595
A study on grafting and characterization of HMDI-modified calcium hydrogenphosphate.	2001 Dec	11603590
The development of new monometallic bifunctional catalysts with Lewis acid and Lewis base properties, and their application in asymmetric cyanation reactions.	2001 Dec 17	11822424
Occupational asthma: a practical approach.	2001 Jul-Aug	11552673
A highly enantioselective chiral Lewis base-catalyzed asymmetric cyanation of ketones.	2001 Jun 27	11414861
The development of new methods for the recycling of chiral catalysts.	2001 Nov	11602308
Valence-tautomerism in high-valent iron and manganese porphyrins.	2001 Oct	11713691
Comparison of denuder and impinger sampling for determination of gaseous toluene diisocyanate (TDI).	2001 Sep	11605755
Immobilization of a nonsteroidal antiinflammatory drug onto commercial segmented polyurethane surface to improve haemocompatibility properties.	2002 Apr	11924587
Isocyanate emission from PUR adhesives: influence of temperature, monomer content, and curing mechanism.	2002 Apr 15	11993883
Tertiary pentyl groups enhance salen titanium catalyst for highly enantioselective trimethylsilylcyanation of aldehydes.	2002 Apr 19	11950323
Total synthesis and initial structure-function analysis of the potent V-ATPase inhibitors salicylihalamide A and related compounds.	2002 Apr 3	11916407
Evaluation of the SureSpot direct-reading instrument for the determination of polymeric MDI aerosols.	2002 Aug	12166889
Frequency and trends of occupational asthma due to toluene diisocyanate: a critical review.	2002 Dec	12495598
Biomarkers of toluene diisocyanate exposure.	2002 Dec	12495594
Allergenic relevance of Cupressus arizonica pollen extract and biological characterization of the allergoid.	2002 Dec	12483034
Glutathione-dependent metabolism of the antitumor agent sulofenur. Evidence for the formation of p-chlorophenyl isocyanate as a reactive intermediate.	2002 Feb	11849051
Isocyanate formation in the catalytic reaction of CO + NO on Pd(111): an in situ infrared spectroscopic study at elevated pressures.	2002 Jul 24	12121082
Thioalkalivibrio thiocyanoxidans sp. nov. and Thioalkalivibrio paradoxus sp. nov., novel alkaliphilic, obligately autotrophic, sulfur-oxidizing bacteria capable of growth on thiocyanate, from soda lakes.	2002 Mar	11931180
Metabolic control analysis in drug discovery and disease.	2002 Mar	11875424
New rigid angular dicarboxylic acid for the construction of nanoscopic supramolecules: from a molecular rectangle to a 1-D coordination polymer.	2002 Mar 11	11874332
Synthesis, structure, and magnetic properties of tetranuclear cubane-like and chain-like iron(II) complexes based on the N(4)O pentadentate dinucleating ligand 1,5-bis[(2-pyridylmethyl)amino]pentan-3-ol.	2002 Mar 25	11896717
Solid-phase synthesis of linear ureas tethered to hydantoins and thiohydantoins.	2002 Mar-Apr	11886293
The influence of a residual group in low-molecular-weight allergoids of Artemisia vulgaris pollen on their allergenicity, IgE- and IgG-binding properties.	2002 Nov	12358997
Harmonized Nordic strategies for isocyanate monitoring in workroom atmospheres.	2002 Oct	12400915
Synthesis, characterization, and solvolysis of mono- and bis-S-(glutathionyl) adducts of methylene-bis-(phenylisocyanate) (MDI).	2002 Oct	12387619
The di-iron subsite of all-iron hydrogenase: mechanism of cyanation of a synthetic [2Fe3S]-carbonyl assembly.	2002 Sep 2	12360945
Oxidative group transfer to Co(I) affords a terminal Co(III) imido complex.	2002 Sep 25	12236716
Isocyanate and carbodiimide synthesis by nitrene-group-transfer from a nickel(II) imido complex.	2002 Sep 7	12271635
Covalent bonding of lysine to EVAL membrane surface to improve survival of cultured cerebellar granule neurons.	2003 Apr	12527289
A low-spin d5 iron imide: nitrene capture by low-coordinate iron(I) provides the 4-coordinate Fe(III) complex [PhB(CH2PPh2)3]Fe=N-p-tolyl.	2003 Jan 15	12517130

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:14:45 GMT 2023` Edited by `admin` on `Sat Dec 16 13:14:45 GMT 2023`
Record UNII	SMZ8SD4GJT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tetrabutylammonium cyanate

Systematic Name

English

1-Butanaminium, N,N,N-tributyl-, cyanate (1:1)

Systematic Name

English

1-Butanaminium, N,N,N-tributyl-, cyanate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30192386