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Details

Stereochemistry ACHIRAL
Molecular Formula C6H8N2
Molecular Weight 108.1411
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADIPONITRILE

SMILES

N#CCCCCC#N

InChI

InChIKey=BTGRAWJCKBQKAO-UHFFFAOYSA-N
InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

HIDE SMILES / InChI

Molecular Formula C6H8N2
Molecular Weight 108.1411
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Toxicology and carcinogenesis studies of acrylonitrile (CAS No. 107-13-1) in B6C3F1 mice (gavage studies).
2001 Oct
Recovery of acetic acid from waste streams by extractive distillation.
2003
Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding.
2004 Jul 7
Health and ecological effects of adiponitrile.
2004 May
Variable interaction network based variable selection for multivariate calibration.
2007 Sep 5
Large amplitude, proton- and cation-activated latch-type mechanical switches: O-protonated amides stabilized by intramolecular, low-barrier hydrogen bonds within macrocycles.
2008 Dec 15
An amino acid at position 142 in nitrilase from Rhodococcus rhodochrous ATCC 33278 determines the substrate specificity for aliphatic and aromatic nitriles.
2008 Nov 1
Investigative mining of sequence data for novel enzymes: a case study with nitrilases.
2009 Aug 10
5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.
2010 Nov 27
Ligand development in the Ni-catalyzed hydrocyanation of alkenes.
2010 Nov 28
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:43:23 GMT 2023
Edited
by admin
on Sat Dec 16 09:43:23 GMT 2023
Record UNII
SYT33B891I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADIPONITRILE
HSDB   MI  
Systematic Name English
ADIPONITRILE [HSDB]
Common Name English
ADIPONITRILE [MI]
Common Name English
NSC-7617
Code English
BUTANEDICARBONITRILE
Systematic Name English
HEXANEDINITRILE
Systematic Name English
ADIPODINITRILE
Common Name English
1,4-DICYANOBUTANE
Systematic Name English
ADIPIC ACID NITRILE
Common Name English
ADIPIC ACID DINITRILE
Common Name English
ADIPYLDINITRILE
Common Name English
Code System Code Type Description
PUBCHEM
8128
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
PRIMARY
NSC
7617
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
PRIMARY
FDA UNII
SYT33B891I
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
PRIMARY
HSDB
627
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-896-3
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID3021936
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
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WIKIPEDIA
Adiponitrile
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
PRIMARY
CAS
111-69-3
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
PRIMARY
MERCK INDEX
m1422
Created by admin on Sat Dec 16 09:43:23 GMT 2023 , Edited by admin on Sat Dec 16 09:43:23 GMT 2023
PRIMARY Merck Index