AG002HBW

188792-67-8 | 1,4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1,1-dimethylethyl) ester

AG002HBW

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CAS Number	188792-67-8
Catalog Number	AG002HBW(AGN-PC-03LDOF)
Chemical Name	1,4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1,1-dimethylethyl) ester
IUPAC Name	4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI	InChI=1S/C13H23NO4/c1-5-13(10(15)16)6-8-14(9-7-13)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,15,16)
InChI Key	JEDALECUOKHQDK-UHFFFAOYSA-N
MDL Number	MFCD08062529
Molecular Formula	C13H23NO4
Molecular Weight	257.3260
SMILES	C(=O)(O)C1(CC)CCN(CC1)C(=O)OC(C)(C)C
Synonyms	188792-67-8, 1-(tert-butoxycarbonyl)-4-ethylpiperidine-4-carboxylic acid, 1-Boc-4-ethyl-4-piperidine carboxylic Acid, 1-Boc-4-ethyl-4-piperidinecarboxylic acid, 1-Boc-4-ethyl-4-piperidinecarboxylicacid, AK-78743, 1-[(tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid, PubChem16875, SCHEMBL965651, Jsp003873, CTK4D9917, KS-00000ADD, DTXSID30623145, JEDALECUOKHQDK-UHFFFAOYSA-N, ALBB-013967, ZX-AN012716, ANW-64178, MFCD08062529, ZINC14984836, AKOS005174376, AC-2627, CS-W003463, DS-1727, PB14534, TRA0049288, ACM188792678, AJ-66233, AN-13784, BBV-37031559, BR-78743, SC-23859, SY002330, AB0023079, AB1001335, AX8032416, DB-027370, ST2415118, TC-152923, 4CH-013347, FT-0722829, W4070, 1-tert-Butoxycarbonyl-4-ethylisonipecotic acid, S-5425, MFCD08062529 (95+%), 1-BOC-4-ETHYLPIPERIDINE-4-CARBOXYLIC ACID, 792B678, A813263, I14-11306, 1-tert-butoxycarbonyl-4-ethyl-piperidine-4-carboxylic acid, 1,4-Piperidinedicarboxylicacid, 4-ethyl-, 1-(1,1-dimethylethyl) ester, 4-ethyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid, 4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid, null, C13H23NO4, 1-BOC-4-ETHYLISONIPECOTIC ACID, A4170, 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate, 1,4-PIPERIDINEDICARBOXYLIC ACID, 4-ETHYL-, 1-(1,1-DIMETHYLETHYL) ESTER,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.163g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.33g/mol
Monoisotopic Mass	257.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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