Home Amines 114084-97-8
114084-97-8,MFCD01814436
Catalog No.:AA000AF3
114084-97-8 | 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
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10mg
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500mg
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000AF3
Chemical Name:
2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
CAS Number:
114084-97-8
Molecular Formula:
C17H16F3N3
Molecular Weight:
319.3242
MDL Number:
MFCD01814436
IUPAC Name:
2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C17H16F3N3/c1-3-23(4-2)16-13(11-21)14(17(18,19)20)10-15(22-16)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3
InChI Key:
KFYGEAREIUYUMI-UHFFFAOYSA-N
SMILES:
CCN(c1nc(cc(c1C#N)C(F)(F)F)c1ccccc1)CC
Properties
Computed Properties
 
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.13g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.331g/mol
Monoisotopic Mass:
319.13g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Synonyms
 
114084-97-8 
2-(diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile 
BDBM74801 
cid_1477171 
CTK0C7902 
KS-00001WPI 
DTXSID30363115 
HMS2293I16 
ZINC20385943 
AKOS005092110 
MCULE-6232776940 
2-(diethylamino)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile 
MLS000326700 
CID1477171 
4N-332S 
SMR000179325 
2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile 
3-Pyridinecarbonitrile, 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)- 
ACMC-20mjpj 
AC1LRTCS 
CHEMBL1577976 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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