AG00IEHR

873551-20-3 | tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate

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CAS Number	873551-20-3
Catalog Number	AG00IEHR(AGN-PC-0WAN3E)
Chemical Name	tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate
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
MDL Number	MFCD22665818
Molecular Formula	C11H16N2O2
Molecular Weight	208.2569
SMILES	O=C(N1CCC(C#N)=CC1)OC(C)(C)C
Synonyms	tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate, 873551-20-3, tert-butyl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate, QFQAHPXXVKMPSS-UHFFFAOYSA-N, SCHEMBL2893109, DTXSID60738332, KS-00000RP9, MFCD22665818, ZINC83287763, AKOS022171610, 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,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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