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Home Nitriles 2-Cyclohexylacetonitrile

2-Cyclohexylacetonitrile

CAS No.:
4435-14-7
Catalog Number:
AG00DECV
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$225
- +
10g
95%
In Stock USA
United States
$400
- +
25g
95%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG00DECV
Chemical Name:
2-Cyclohexylacetonitrile
CAS Number:
4435-14-7
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD00058667
IUPAC Name:
2-cyclohexylacetonitrile
InChI:
InChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h8H,1-6H2
InChI Key:
MXFPACNADGXIQY-UHFFFAOYSA-N
SMILES:
N#CCC1CCCCC1
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
6-Cyclo-hexyl-meth-yl-5-ethyl-2-[(2-oxo-2-phenyl-eth-yl)sulfan-yl]pyrimidin-4(3H)-one. Acta crystallographica. Section E, Structure reports online 20110201
6-Cyclo-hexyl-methyl-2-cyclo-hexyl-sul-fanyl-5-isopropyl-pyrimidin-4(3H)-one. Acta crystallographica. Section E, Structure reports online 20080901
Properties