AG00ARX8

184368-74-9 | 4(2H)-Pyridinedicarboxylic acid, 3,6-dihydro-, 1-(1,1-diMethylethyl)4-Methyl ester

AG00ARX8

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CAS Number	184368-74-9
Catalog Number	AG00ARX8(AGN-PC-00GK3H)
Chemical Name	4(2H)-Pyridinedicarboxylic acid, 3,6-dihydro-, 1-(1,1-diMethylethyl)4-Methyl ester
IUPAC Name	1-O-tert-butyl 4-O-methyl 3,6-dihydro-2H-pyridine-1,4-dicarboxylate
InChI	InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h5H,6-8H2,1-4H3
InChI Key	BNDRQMFIDHTNGI-UHFFFAOYSA-N
MDL Number	MFCD23704701
Molecular Formula	C12H19NO4
Molecular Weight	241.2836
SMILES	O=C(N1CCC(C(OC)=O)=CC1)OC(C)(C)C
Synonyms	184368-74-9, 1-tert-Butyl 4-methyl 5,6-dihydropyridine-1,4(2H)-dicarboxylate, Methyl 1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylate, 3,6-dihydro-2h-pyridine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester, SCHEMBL5750524, KS-00000BUG, BNDRQMFIDHTNGI-UHFFFAOYSA-N, 6889AJ, MFCD23704701, ZINC36449659, AKOS024258817, DS-7847, 1,4(2H)-Pyridinedicarboxylic acid, 3,6-dihydro-, 1-(1,1-dimethylethyl) 4-methyl ester, AJ-92892, AK153995, SY030106, CS-0041596, FT-0757636, MFCD23704701 (95%), 1-boc-4-methoxycarbonyl-3,4-didehydropiperidine, Methyl1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylate, Methyl 1-Boc-1,2,3,6-Tetrahydro-4-pyridinecarboxylate, 1-O-tert-butyl 4-O-methyl 3,6-dihydro-2H-pyridine-1,4-dicarboxylate, methyl 1-(tert-butoxycarbonyl) -1,2,3,6-tetrahydro-4-pyridinecarboxylate, Methyl 1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydro -4-pyridinecarboxylate, Methyl 1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydro-4-pyridinecarboxylate, 4(2H)-Pyridinedicarboxylic acid, 3,6-dihydro-, 1-(1,1-diMethylethyl)4-Methyl ester, C12H19NO4, CID11806782, Tert-butyl Methyl 3,6-dihydro-2H-pyridine-1,4-dicarboxylate,

Complexity	341
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.131g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.287g/mol
Monoisotopic Mass	241.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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