AG002DO3

189442-87-3 | 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-ethyl ester

AG002DO3

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CAS Number	189442-87-3
Catalog Number	AG002DO3(AGN-PC-00UQYL)
Chemical Name	1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-ethyl ester
IUPAC Name	1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate
InChI	InChI=1S/C14H25NO4/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
InChI Key	ZQZVWDXMUCTNRI-UHFFFAOYSA-N
MDL Number	MFCD08689955
Molecular Formula	C14H25NO4
Molecular Weight	271.3526
SMILES	CCOC(=O)C1(C)CCN(CC1)C(=O)OC(C)(C)C
Synonyms	189442-87-3, Ethyl N-Boc-4-methylpiperidine-4-carboxylate, 1-tert-butyl 4-ethyl 4-methylpiperidine-1,4-dicarboxylate, 1-BOC-4-METHYL-ISONIPECOTIC ACID ETHYL ESTER, Ethyl 1-N-Boc-4-methyl-piperidine-carboxylate, 1-tert-Butoxycarbonyl-4-methylpiperidine-4-carboxylic acid ethyl ester, O1-TERT-BUTYL O4-ETHYL 4-METHYLPIPERIDINE-1,4-DICARBOXYLATE, SCHEMBL442966, Jsp003894, CTK0H3303, DTXSID20584852, ZQZVWDXMUCTNRI-UHFFFAOYSA-N, Ethyl N-Boc-4-methylisonipecotate, ACN-S002869, ANW-57052, CE-384, MFCD08689955, ZINC14984799, AKOS015903645, AC-2628, LS20577, MCULE-8227819707, PB29546, TRA0032617, VP80113, AJ-66226, AN-13785, AS-35657, BC203648, CJ-14794, SC-24947, SY002331, AB0073550, AB1001336, DB-012981, RT-022335, ST2415478, FT-0690145, ethyl N-boc-4-methyl-4-piperidine carboxylate, A23136, ethyl 1-boc-4-methyl-4-piperidine carboxylate, Q-1043, MFCD08689955 (97+%), Ethyl N-Boc-4-methylpiperidine-4-carboxylate, 97%, J-012223, I14-17576, Z1497952294, N-tert-butoxycarbonyl-4-methyl-isonipecotic acid ethyl ester, N-tert-butoxycarbonyl-4-methylisonipecotic acid ethyl ester, 1-(tert-butyl) 4-ethyl 4-methylpiperidine-1,4-dicarboxylate, 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate, 4-methyl piperidine-1,4-dicarboxylic acid-1-tert-butyl ester-4-ethyl ester, 4-methyl piperidine-1,4-dicarboxylic acid-1-tert-butylester-4-ethyl ester, 4-Methyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester, 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-ethyl ester, 4-Methyl-1,4-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) 4-ethyl ester, null, (R)-(-)-3-METHYL-2-BUTYL ISOCYANATE, ETHYL 1-BOC-4-METHYLPIPERIDINE-4-CARBOXYLATE,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.178g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.357g/mol
Monoisotopic Mass	271.178g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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