U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H15N
Molecular Weight 125.2114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTANENITRILE

SMILES

CCCCCCCC#N

InChI

InChIKey=YSIMAPNUZAVQER-UHFFFAOYSA-N
InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H15N
Molecular Weight 125.2114
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Femtosecond to microsecond photochemistry of a [FeFe]hydrogenase enzyme model compound.
2010-11-25
Multi-residue method for the determination of organochlorine pesticides in fish feed based on a cleanup approach followed by gas chromatography-triple quadrupole tandem mass spectrometry.
2010-07-23
Partitioning of fluorotelomer alcohols (FTOH) to semipermeable membrane devices (SPMD).
2010-02
[Determination of residual pesticides in processed foods manufactured from livestock foods and seafoods using ion trap GC/MS].
2010
Determination of descriptors for semivolatile organosilicon compounds by gas chromatography and non-aqueous liquid-liquid partition.
2009-11-06
[Multiresidue method for determination of pesticide residues in processed foods by GC/MS].
2009-10
Interfacial synthesis and widely controllable conductivity of polythiophene microparticles.
2009-07-23
Immunochemical screening of pesticides (simazine and cypermethrin) in orange oil.
2009-07-08
Efficient lipase-selective synthesis of dilauryl mannoses by simultaneous reaction-extraction system.
2009-03
[Determination of pesticides in Chinese dumplings using liquid chromatography-tandem mass spectrometry].
2009-02
Large amplitude, proton- and cation-activated latch-type mechanical switches: O-protonated amides stabilized by intramolecular, low-barrier hydrogen bonds within macrocycles.
2008-12-15
Instability of hexane-acetonitrile mobile phases used for the chromatographic analysis of triacylglycerides.
2008-04
Optimization of large-volume injection for the determination of polychlorinated biphenyls in children's fast-food menus by low-resolution mass spectrometry.
2008-03-26
A partially substituted calix[4]resorcarene receptor and its selective recognition for soft metal cations (silver and mercury).
2008-02-21
Morphological tuning and conductivity of organic conductor nanowires.
2007-12-12
Determination of descriptors for organosilicon compounds by gas chromatography and non-aqueous liquid-liquid partitioning.
2007-10-26
Application of gas chromatography coupled to triple quadrupole mass spectrometry for the multiresidue analysis of pesticides in olive oil.
2007-10-17
Determination method for ractopamine in swine and cattle tissues using LC/MS.
2007-10
Sulfur-containing hetero-calix[4]pyrroles as mercury(II) cation-selective receptors: thermodynamic aspects.
2007-05-31
Residue analysis of organophosphorus and organochlorine pesticides in fatty matrices by gas chromatography coupled with electron-capture detection.
2006-07-28
A simple high-performance liquid chromatography method for the determination of throat-burning oleocanthal with probated antiinflammatory activity in extra virgin olive oils.
2006-05-03
Alternative methodology for the analysis of progesterone, testosterone, and epi-testosterone in bovine liver and veal muscle.
2006-04-28
Simultaneous multidetermination of residues of pesticides and polycyclic aromatic hydrocarbons in olive and olive-pomace oils by gas chromatography/tandem mass spectrometry.
2006-04-07
Application of dual counter-current chromatography for rapid sample preparation of N-methylcarbamate pesticides in vegetable oil and citrus fruit.
2006-03-03
Model for the distribution of neutral organic compounds between n-hexane and acetonitrile.
2006-02-03
GC identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices.
2005-12
Experimental determination and calculation of distribution coefficients between air and fiber with polydimethylsiloxane coating for some groups of organic compounds.
2005-06-10
Influence of localized excited states on the transition moment directions of charge transfer complex absorptions.
2005-03-17
Improved identification of conjugated linoleic acid isomers using silver-ion HPLC separations.
2004-05-29
Effect of Coriolis force on counter-current chromatographic separation by centrifugal partition chromatography.
2004-02-06
[Prediction of eluotropic sequence of solutes in countercurrent chromatography].
2002-11
Characterization and synthetic applications of recombinant AtNIT1 from Arabidopsis thaliana.
2002-01
Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system.
2001-07-20
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:10:49 GMT 2025
Edited
by admin
on Mon Mar 31 21:10:49 GMT 2025
Record UNII
D6646V87PY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-5513
Preferred Name English
OCTANENITRILE
Systematic Name English
HEPTYL CYANIDE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
204-682-2
Created by admin on Mon Mar 31 21:10:49 GMT 2025 , Edited by admin on Mon Mar 31 21:10:49 GMT 2025
PRIMARY
CAS
124-12-9
Created by admin on Mon Mar 31 21:10:49 GMT 2025 , Edited by admin on Mon Mar 31 21:10:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID1047655
Created by admin on Mon Mar 31 21:10:49 GMT 2025 , Edited by admin on Mon Mar 31 21:10:49 GMT 2025
PRIMARY
NSC
5513
Created by admin on Mon Mar 31 21:10:49 GMT 2025 , Edited by admin on Mon Mar 31 21:10:49 GMT 2025
PRIMARY
FDA UNII
D6646V87PY
Created by admin on Mon Mar 31 21:10:49 GMT 2025 , Edited by admin on Mon Mar 31 21:10:49 GMT 2025
PRIMARY
PUBCHEM
31286
Created by admin on Mon Mar 31 21:10:49 GMT 2025 , Edited by admin on Mon Mar 31 21:10:49 GMT 2025
PRIMARY