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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12
Molecular Weight 96.1702
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-HEPTYNE

SMILES

CCCCCC#C

InChI

InChIKey=YVXHZKKCZYLQOP-UHFFFAOYSA-N
InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3

HIDE SMILES / InChI

Molecular Formula C7H12
Molecular Weight 96.1702
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Near-infrared spectroscopy as a useful tool for analysis in solution in common organic solvents.
2009-03
Quassinoid support studies: fused carbocycle synthesis from benzoic acid derivatives via 5-hexynyl and 6-heptynyl radical cyclizations.
2006-09-28
Adducts of thianthrene- and phenoxathiin cation radical tetrafluoroborates to 1-alkynes. Structures and formation of 1-(5-thianthreniumyl)- and 1-(10-phenoxathiiniumyl)alkynes on alumina leading to alpha-ketoylides and alpha-ketols.
2005-11-25
Phase relationships and thermodynamic interactions of isotactic poly(1-butene) and organic solvent systems.
2005-01-07
Studies on the total synthesis of streptazolin and its related natural products: first total synthesis of (+/-)-8alpha-hydroxystreptazolone.
2004-03-19
In situ functionalization of porous silicon during the electrochemical formation process in ethanoic hydrofluoric acid solution.
2003-08-13
Stereoselective synthesis of (6Z,10E,12Z)-octadeca-6,10,12-trienoic acid, (8Z,12E,14Z)-eicosa-8,12,14-trienoic acid, and their [1-14C]-radiolabeled analogs.
2003-07
Functional analysis of the molecular determinants of cyclooxygenase-2 acetylation by 2-acetoxyphenylhept-2-ynyl sulfide.
2003-01-01
Ring scission of diastereomeric 4-butylspiropentylcarbinyl radicals as a chemical model for identifying enzyme-catalyzed FAD adducts resulting from spiropentylacetyl-CoA.
2002-02-20
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
Z3NF9SSH6K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-HEPTYNE
Systematic Name English
NSC-9710
Preferred Name English
Code System Code Type Description
ECHA (EC/EINECS)
211-051-5
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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PUBCHEM
12350
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
Z3NF9SSH6K
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
628-71-7
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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NSC
9710
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID5060857
Created by admin on Mon Mar 31 19:14:19 GMT 2025 , Edited by admin on Mon Mar 31 19:14:19 GMT 2025
PRIMARY