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873551-20-3,MFCD22665818
Catalog No.:AA00IEEZ
873551-20-3 | tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate
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100mg
97%
in stock  
$114.00
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250mg
97%
in stock  
$181.00
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1g
97%
in stock  
$451.00
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Technical Information
Catalog Number:
AA00IEEZ
Chemical Name:
tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate
CAS Number:
873551-20-3
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD22665818
IUPAC Name:
tert-butyl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h4H,5-7H2,1-3H3
InChI Key:
QFQAHPXXVKMPSS-UHFFFAOYSA-N
SMILES:
N#CC1=CCN(CC1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate 
873551-20-3 
DS-5676 
AK137091 
DA-02155 
AJ-125865 
FT-0730705 
tert-Butyl 4-cyano-3,6-dihydropyridine-1(2H)-carboxylate 
tert-butyl 4-cyano-1,2,3,6-tetrahydropyridine-1-carboxylate 
tert-butyl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate 
QFQAHPXXVKMPSS-UHFFFAOYSA-N 
SCHEMBL2893109 
DTXSID60738332 
KS-00000RP9 
MFCD22665818 
ZINC83287763 
AKOS022171610 
Literature
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