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Home Nitriles 3-Methylbutanenitrile

3-Methylbutanenitrile

CAS No.:
625-28-5
Catalog Number:
AG0033RC
Molecular Formula:
C5H9N
Molecular Weight:
83.1317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$126
- +
5g
In Stock USA
United States
$201
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Product Description
Catalog Number:
AG0033RC
Chemical Name:
3-Methylbutanenitrile
CAS Number:
625-28-5
Molecular Formula:
C5H9N
Molecular Weight:
83.1317
MDL Number:
MFCD00001944
IUPAC Name:
3-methylbutanenitrile
InChI:
InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
InChI Key:
QHDRKFYEGYYIIK-UHFFFAOYSA-N
SMILES:
CC(CC#N)C
EC Number:
210-884-1
UNII:
N2G72X091L
NSC Number:
148363
Properties
Complexity:
65.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.073g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
83.134g/mol
Monoisotopic Mass:
83.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Vibrational analysis of the conformers and understanding the genesis of the internal rotational barriers of Isobutyl Cyanide molecule. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001
Smelling the wood from the trees: non-linear parasitoid responses to volatile attractants produced by wild and cultivated cabbage. Journal of chemical ecology 20110801
Ferredoxin:NADP+ oxidoreductase bound to cytochrome b₆f complex is active in plastoquinone reduction: implications for cyclic electron transport. Physiologia plantarum 20110301
Metabolic characterization of loci affecting sensory attributes in tomato allows an assessment of the influence of the levels of primary metabolites and volatile organic contents. Journal of experimental botany 20090501
Flavour compounds in tomato fruits: identification of loci and potential pathways affecting volatile composition. Journal of experimental botany 20090101
Novel catalytic activity of nitrile hydratase from Rhodococcus sp. N771. Journal of bioscience and bioengineering 20080801
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. Studies in mycology 20080101
Properties