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Details

Stereochemistry ACHIRAL
Molecular Formula C4H6
Molecular Weight 54.0904
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BUTYNE

SMILES

CCC#C

InChI

InChIKey=KDKYADYSIPSCCQ-UHFFFAOYSA-N
InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3

HIDE SMILES / InChI

Molecular Formula C4H6
Molecular Weight 54.0904
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Density functional investigation of reactive intermediates derived from alkyne-Co2(CO)6 complexes.
2001 Dec 17
Ir-Catalyzed substitution of propargylic-type esters with enoxysilanes.
2002 Aug 7
Tandem functionalization of nonactivated alkenes and alkynes in intramolecular N-acyloxyiminium ion carbocyclization. Synthesis of 6-substituted hydroindole 2-carboxylic acids.
2004 Dec 9
How large is the conjugative stabilization of diynes?
2004 Nov 24
Molecular modeling of alkyl monolayers on the Si(100)-2 x 1 surface.
2004 Oct 12
Vibrational spectroscopy and intramolecular dynamics of 1-butyne.
2004 Sep 22
The adsorption of C4 unsaturated hydrocarbons on highly dehydrated silica. An IR-spectroscopic and thermodynamic study.
2005 Apr 26
Overtone spectroscopy of C-H ethyl stretches of 1-butyne.
2005 Aug 22
Synthetic studies in the intramolecular carbocyclization of N-acyloxyiminium ions. Stereoelectronic and steric implications of nucleophilic alkene, alkyne, and allene tethers.
2005 Jun 24
Dissociation channels of the 1-buten-2-yl radical and its photolytic precursor 2-bromo-1-butene.
2005 May 12
Evaluation of the in-situ aerobic cometabolism of chlorinated ethenes by toluene-utilizing microorganisms using push-pull tests.
2007 Feb 20
Dimerization of propargyl and homopropargyl 6-azido-6-deoxy-glycosides upon 1,3-dipolar cycloaddition.
2008
Facile synthesis and in vitro properties of 1-alkyl- and 1-alkyl-N-propargyl-1,2,3,4-tetrahydroisoquinoline derivatives on PC12 cells.
2009 Oct
Low temperature rate coefficients for reactions of the butadiynyl radical, C4H, with various hydrocarbons. Part II: reactions with alkenes (ethylene, propene, 1-butene), dienes (allene, 1,3-butadiene) and alkynes (acetylene, propyne and 1-butyne).
2010 Apr 21
[d4U]-spacer-[HI-236] double-drug inhibitors of HIV-1 reverse-transcriptase.
2010 Jul 1
Type II isopentenyl diphosphate isomerase: probing the mechanism with alkyne/allene diphosphate substrate analogues.
2010 Jul 27
Reaction of the C2H radical with 1-butyne (C4H6): low-temperature kinetics and isomer-specific product detection.
2010 Mar 11
Harmful gases including carcinogens produced during transurethral resection of the prostate and vaporization.
2010 Nov
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:31:23 GMT 2023
Edited
by admin
on Fri Dec 15 18:31:23 GMT 2023
Record UNII
A6B47CPN6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BUTYNE
Systematic Name English
BUT-1-YNE
Systematic Name English
ETHYLETHYNE
Systematic Name English
Code System Code Type Description
PUBCHEM
7846
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
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FDA UNII
A6B47CPN6W
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
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ECHA (EC/EINECS)
203-451-3
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
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WIKIPEDIA
1-Butyne
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
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CHEBI
48087
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
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CAS
107-00-6
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
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EPA CompTox
DTXSID4029141
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
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