AG003PRP

55536-71-5 | Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

AG003PRP

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CAS Number	55536-71-5
Catalog Number	AG003PRP(AGN-PC-0SJ5IV)
Chemical Name	Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name	ditert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI	InChI=1S/C17H27NO4/c1-10-12(14(19)21-16(3,4)5)9-13(11(2)18-10)15(20)22-17(6,7)8/h18H,9H2,1-8H3
InChI Key	WSWDAKKWVAVVAI-UHFFFAOYSA-N
MDL Number	MFCD01882057
Molecular Formula	C17H27NO4
Molecular Weight	309.4006
SMILES	C(=O)(OC(C)(C)C)C1=C(C)NC(=C(C1)C(=O)OC(C)(C)C)C
Synonyms	55536-71-5, Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Ditert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Di-tert-butyl 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate, 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic Acid Di-tert-butyl Ester, AC1NAONI, ACMC-20al4d, SCHEMBL2150834, CTK1G8656, DTXSID50403466, WSWDAKKWVAVVAI-UHFFFAOYSA-N, KS-000012SO, MFCD01882057, ZINC19594068, AKOS016014048, MCULE-2998432471, AJ-73962, AN-40336, AS-47939, AX8126173, TC-167044, D4311, ST51012679, TL80073736, 536D715, Di-tert-butyl 2,6-dimethylpyridine-3,5-dicarboxylate, Di-tert-butyl1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate, 2,6-Dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid di-tert-butyl ester, 2,6-Dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester, Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 97%, tert-butyl 5-[(tert-butyl)oxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carb oxylate, CID4455240, DI-TERT-BUTYL26-DIMETHYL-14-DIHYDROP&,

Complexity	494
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	309.194g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	309.406g/mol
Monoisotopic Mass	309.194g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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