AG000MEM

1245782-62-0 | 1-tert-Butyl 2-ethyl 3-oxopiperidine-1,2-dicarboxylate

AG000MEM

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CAS Number	1245782-62-0
Catalog Number	AG000MEM(AGN-PC-0BLD57)
Chemical Name	1-tert-Butyl 2-ethyl 3-oxopiperidine-1,2-dicarboxylate
IUPAC Name	1-O-tert-butyl 2-O-ethyl 3-oxopiperidine-1,2-dicarboxylate
InChI	InChI=1S/C13H21NO5/c1-5-18-11(16)10-9(15)7-6-8-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3
InChI Key	GEBLXHUPYRYFEX-UHFFFAOYSA-N
MDL Number	MFCD16883080
Molecular Formula	C13H21NO5
Molecular Weight	271.3095
SMILES	O=C(N1C(C(OCC)=O)C(CCC1)=O)OC(C)(C)C
Synonyms	1245782-62-0, 1-tert-Butyl 2-ethyl 3-oxopiperidine-1,2-dicarboxylate, ETHYL N-BOC-3-OXOPIPERIDINE-2-CARBOXYLATE, AK109139, W-205199, CTK8C4764, DTXSID40719861, ANW-73034, MFCD16883080, AKOS015949326, CS-W001360, DS-4159, RP07696, TRA0036958, KS-000008S8, SC-90199, SY009273, AX8173970, TC-161779, FT-0685207, MFCD16883080 (95%), K-1803, J-505128, 1-t-Butyl 2-ethyl 3-oxopiperidine-1,2-dicarboxylate, 1-tert-butyl2-ethyl3-oxopiperidine-1,2-dicarboxylate, 1,2-Piperidinedicarboxylic acid, 3-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester,

Complexity	372
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.142g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.313g/mol
Monoisotopic Mass	271.142g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

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