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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
Harmful gases including carcinogens produced during transurethral resection of the prostate and vaporization.
2010-11
Type II isopentenyl diphosphate isomerase: probing the mechanism with alkyne/allene diphosphate substrate analogues.
2010-07-27
[d4U]-spacer-[HI-236] double-drug inhibitors of HIV-1 reverse-transcriptase.
2010-07-01
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).
2010-04-21
Reaction of the C2H radical with 1-butyne (C4H6): low-temperature kinetics and isomer-specific product detection.
2010-03-11
Facile synthesis and in vitro properties of 1-alkyl- and 1-alkyl-N-propargyl-1,2,3,4-tetrahydroisoquinoline derivatives on PC12 cells.
2009-10
Dimerization of propargyl and homopropargyl 6-azido-6-deoxy-glycosides upon 1,3-dipolar cycloaddition.
2008
Evaluation of the in-situ aerobic cometabolism of chlorinated ethenes by toluene-utilizing microorganisms using push-pull tests.
2007-02-20
Overtone spectroscopy of C-H ethyl stretches of 1-butyne.
2005-08-22
Synthetic studies in the intramolecular carbocyclization of N-acyloxyiminium ions. Stereoelectronic and steric implications of nucleophilic alkene, alkyne, and allene tethers.
2005-06-24
Dissociation channels of the 1-buten-2-yl radical and its photolytic precursor 2-bromo-1-butene.
2005-05-12
The adsorption of C4 unsaturated hydrocarbons on highly dehydrated silica. An IR-spectroscopic and thermodynamic study.
2005-04-26
Tandem functionalization of nonactivated alkenes and alkynes in intramolecular N-acyloxyiminium ion carbocyclization. Synthesis of 6-substituted hydroindole 2-carboxylic acids.
2004-12-09
How large is the conjugative stabilization of diynes?
2004-11-24
Molecular modeling of alkyl monolayers on the Si(100)-2 x 1 surface.
2004-10-12
Vibrational spectroscopy and intramolecular dynamics of 1-butyne.
2004-09-22
Ir-Catalyzed substitution of propargylic-type esters with enoxysilanes.
2002-08-07
Density functional investigation of reactive intermediates derived from alkyne-Co2(CO)6 complexes.
2001-12-17
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:14:19 GMT 2025
Edited
by admin
on Mon Mar 31 19:14:19 GMT 2025
Record UNII
A6B47CPN6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUT-1-YNE
Preferred Name English
1-BUTYNE
Systematic Name English
ETHYLETHYNE
Systematic Name English
Code System Code Type Description
PUBCHEM
7846
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
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FDA UNII
A6B47CPN6W
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
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ECHA (EC/EINECS)
203-451-3
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
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WIKIPEDIA
1-Butyne
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
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CHEBI
48087
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
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CAS
107-00-6
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
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EPA CompTox
DTXSID4029141
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
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