Home Nitriles Glutaronitrile

Glutaronitrile

CAS No.:
544-13-8
Catalog Number:
AG003QRX
Molecular Formula:
C5H6N2
Molecular Weight:
94.1145
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%(GC)
In Stock USA
United States
$66
- +
100g
98%(GC)
In Stock USA
United States
$198
- +
Product Description
Catalog Number:
AG003QRX
Chemical Name:
Glutaronitrile
CAS Number:
544-13-8
Molecular Formula:
C5H6N2
Molecular Weight:
94.1145
MDL Number:
MFCD00001970
IUPAC Name:
pentanedinitrile
InChI:
InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2
InChI Key:
ZTOMUSMDRMJOTH-UHFFFAOYSA-N
SMILES:
N#CCCCC#N
EC Number:
208-861-6
UNII:
01ZI68F3CQ
NSC Number:
3807
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.053g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.117g/mol
Monoisotopic Mass:
94.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Relaxation dynamics and ionic conductivity in a fragile plastic crystal. The Journal of chemical physics 20101014
Investigative mining of sequence data for novel enzymes: a case study with nitrilases. Journal of biotechnology 20090810
An amino acid at position 142 in nitrilase from Rhodococcus rhodochrous ATCC 33278 determines the substrate specificity for aliphatic and aromatic nitriles. The Biochemical journal 20081101
Electrolytes for dye-sensitized solar cells based on interhalogen ionic salts and liquids. Inorganic chemistry 20070430
Allergic contact dermatitis from methyldibromo glutaronitrile in a sanitary pad and review of Australian clinic data. Contact dermatitis 20070301
Environmentally friendly one-pot synthesis of alpha-alkylated nitriles using hydrotalcite-supported metal species as multifunctional solid catalysts. Chemistry (Weinheim an der Bergstrasse, Germany) 20061106
Tris(pyridylmethylamino)cyclotriguaiacylene cavitands: an investigation of the solution and solid-state behaviour of metallo-supramolecular cages and cavitand-based coordination polymers. Chemistry (Weinheim an der Bergstrasse, Germany) 20060403
Molecular and enzymatic analysis of the 'aldoxime-nitrile pathway' in the glutaronitrile degrader Pseudomonas sp. K-9. Applied microbiology and biotechnology 20060301
POSaM: a fast, flexible, open-source, inkjet oligonucleotide synthesizer and microarrayer. Genome biology 20040101
Properties