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

Details

Stereochemistry RACEMIC
Molecular Formula C6H8N2
Molecular Weight 108.1411
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLPENTANEDINITRILE

SMILES

CC(CCC#N)C#N

InChI

InChIKey=FPPLREPCQJZDAQ-UHFFFAOYSA-N
InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H8N2
Molecular Weight 108.1411
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhalation toxicity of methylglutaronitrile in rats.
2003 May
POSaM: a fast, flexible, open-source, inkjet oligonucleotide synthesizer and microarrayer.
2004
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:55:17 GMT 2023
Edited
by admin
on Sat Dec 16 08:55:17 GMT 2023
Record UNII
EJX3MSL725
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLPENTANEDINITRILE
HSDB  
Systematic Name English
GLUTARONITRILE, 2-METHYL-
Systematic Name English
2-METHYL-1,5-VALERODINITRILE
Common Name English
DIACRYLONITRILE
Common Name English
.ALPHA.-METHYLGLUTARONITRILE
Common Name English
PENTANEDINITRILE, 2-METHYL-
Systematic Name English
2,4-DICYANOBUTANE
Systematic Name English
2-METHYLPENTANEDINITRILE [HSDB]
Common Name English
METHYLGLUTARONITRILE
Systematic Name English
2-METHYLGLUTARONITRILE
Systematic Name English
1,5-VALERODINITRILE, 2-METHYL-
Systematic Name English
GLUTANONITRILE, .ALPHA.-METHYL-
Systematic Name English
.ALPHA.-METHYLGLUTARODINITRILE
Common Name English
1,3-DICYANOBUTANE
Systematic Name English
METHYL GLUTARONITRILE
Systematic Name English
Code System Code Type Description
HSDB
6502
Created by admin on Sat Dec 16 08:55:17 GMT 2023 , Edited by admin on Sat Dec 16 08:55:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID4025612
Created by admin on Sat Dec 16 08:55:17 GMT 2023 , Edited by admin on Sat Dec 16 08:55:17 GMT 2023
PRIMARY
CAS
4553-62-2
Created by admin on Sat Dec 16 08:55:17 GMT 2023 , Edited by admin on Sat Dec 16 08:55:17 GMT 2023
PRIMARY
FDA UNII
EJX3MSL725
Created by admin on Sat Dec 16 08:55:17 GMT 2023 , Edited by admin on Sat Dec 16 08:55:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-923-5
Created by admin on Sat Dec 16 08:55:17 GMT 2023 , Edited by admin on Sat Dec 16 08:55:17 GMT 2023
PRIMARY
PUBCHEM
20686
Created by admin on Sat Dec 16 08:55:17 GMT 2023 , Edited by admin on Sat Dec 16 08:55:17 GMT 2023
PRIMARY
WIKIPEDIA
2-Methylglutaronitrile
Created by admin on Sat Dec 16 08:55:17 GMT 2023 , Edited by admin on Sat Dec 16 08:55:17 GMT 2023
PRIMARY