Home Nitriles Cyclopropanecarbonitrile

Cyclopropanecarbonitrile

CAS No.:
5500-21-0
Catalog Number:
AG003P6Q
Molecular Formula:
C4H5N
Molecular Weight:
67.0892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$40
- +
25g
95%
In Stock USA
United States
$83
- +
100g
95%
In Stock USA
United States
$257
- +
Product Description
Catalog Number:
AG003P6Q
Chemical Name:
Cyclopropanecarbonitrile
CAS Number:
5500-21-0
Molecular Formula:
C4H5N
Molecular Weight:
67.0892
MDL Number:
MFCD00001269
IUPAC Name:
cyclopropanecarbonitrile
InChI:
InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2
InChI Key:
AUQDITHEDVOTCU-UHFFFAOYSA-N
SMILES:
N#CC1CC1
EC Number:
226-836-8
NSC Number:
60191
Properties
Complexity:
72.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
67.042g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
67.091g/mol
Monoisotopic Mass:
67.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Oxonium ammonio-(cyclo-prop-yl)methyl-enebis(hydrogenphospho-nate) monohydrate. Acta crystallographica. Section E, Structure reports online 20081201
Synthesis of 1-arylmethyl-2-(2-cyanoethyl)aziridines and their rearrangement into novel 2-(aminomethyl)cyclopropanecarbonitriles. The Journal of organic chemistry 20070914
A crossed beams study of the reaction of carbon atoms, C(3Pj), with vinyl cyanide, C2H3CN(X 1A')--investigating the formation of cyano propargyl radicals. Physical chemistry chemical physics : PCCP 20061214
Better understanding of the ring-cleavage process of cyanocyclopropyl anionic derivatives. A theoretical study based on the electron localization function. The Journal of organic chemistry 20060120
Efficient synthesis of enantiomerically pure alpha-alkyl cyclopropanecarbonitrile derivatives from pyrazolines. Organic letters 20041223
Synthesis of cyclopropane isosteres of the antiepilepsy drug vigabatrin and evaluation of their inhibition of GABA aminotransferase. Journal of enzyme inhibition and medicinal chemistry 20040801
Configurational stability of chiral lithiated cyclopropylnitriles: a density functional study. Chirality 20030505
Nitrile hydratase of Pseudomonas chlororaphis B23. Purification and characterization. European journal of biochemistry 19870202
Properties