AG000N5D

125097-83-8 | 1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-methyl ester

AG000N5D

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CAS Number	125097-83-8
Catalog Number	AG000N5D(AGN-PC-0PHXZE)
Chemical Name	1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-methyl ester
IUPAC Name	1-O-tert-butyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
InChI	InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-6-9(8-13)10(14)16-4/h6H,5,7-8H2,1-4H3
InChI Key	OSEDCXAVONLPOJ-UHFFFAOYSA-N
MDL Number	MFCD24465604
Molecular Formula	C12H19NO4
Molecular Weight	241.2836
SMILES	O=C(C1=CCCN(C(OC(C)(C)C)=O)C1)OC
Synonyms	125097-83-8, 1-tert-butyl 3-methyl 5,6-dihydropyridine-1,3(2H)-dicarboxylate, 1-tert-butyl 3-methyl 1,2,5,6-tetrahydropyridine-1,3-dicarboxylate, methyl 1-tert-butoxycarbonyl-1,2,5,6-tetrahydropyridine-3-carboxylate, SCHEMBL3729307, OSEDCXAVONLPOJ-UHFFFAOYSA-N, MFCD24465604, ZINC38284667, AKOS027339912, SB23195, NS-03396, CS-0079231, Methyl 1-boc-1,2,5,6-tetrahydropyridine-3-carboxylate, 1-(tert-Butyl) 3-methyl 5,6-dihydropyridine-1,3(2H)-dicarboxylate, 1-tert-butyl 3-methyl 5,6-dihydro-1,3(2H)-pyridinedicarboxylate, methyl 1-t-butyloxycarbonyl-1,2,5,6-tetrahydropyridine-3-carboxylate, 1,2,5,6-tetrahydro-1,3-pyridinedicarboxylic acid 1-tert-butyl ester 3-methyl ester, 1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-methyl ester, 1-(tert-Butoxycarbonyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester, 5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-t-butyl ester 3-methyl ester, 5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester, CID11128444, Tert-butyl Methyl 5,6-dihydro-2H-pyridine-1,3-dicarboxylate, N/A,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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