AG002I9M

189321-63-9 | 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester

AG002I9M

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CAS Number	189321-63-9
Catalog Number	AG002I9M(AGN-PC-040NGU)
Chemical Name	1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester
IUPAC Name	4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI	InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15/h5-8H2,1-4H3,(H,14,15)
InChI Key	OKBNEDPOUYRYNP-UHFFFAOYSA-N
MDL Number	MFCD02179132
Molecular Formula	C12H21NO4
Molecular Weight	243.2994
SMILES	C(=O)(OC(C)(C)C)N1CCC(CC1)(C(=O)O)C
Synonyms	189321-63-9, 1-Boc-4-methylpiperidine-4-carboxylic acid, 1-(Tert-Butoxycarbonyl)-4-Methylpiperidine-4-Carboxylic Acid, 1-Boc-4-methyl-4-piperidinecarboxylic Acid, 1-boc-4-methyl-isonipecotic acid, 1-Boc-4-Methyl-Piperidine-4-Carboxylic Acid, 1-[(tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid, 4-Methyl-4-carboxy-1-N-Boc-piperidine, 1-Tert-butoxycarbonyl-4-methyl-piperidine-4-carboxylic acid, 4-methyl-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester, n-boc-4-methyl-4-piperidinecarboxylic acid, 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid, 1-N-Boc-4-methyl-piperidine-4-carboxylic acid, PubChem13317, 1-Boc-4-methylpiperidine-4-carboxylicacid, AC1Q1MYX, AC1Q1MYY, chembrdg-bb 4002933, KSC496K4P, SCHEMBL225098, Jsp003889, CTK3J6547, DTXSID70632519, OKBNEDPOUYRYNP-UHFFFAOYSA-N, ACN-S002868, ACT02088, ALBB-013966, BCP22786, CS-M0704, EBD51799, KS-000003GF, ZINC2391710, ANW-52181, MFCD02179132, AKOS000266555, AC-2626, BCP9000047, CB-1911, CCG-211589, MCULE-9375435368, PB17274, QC-2443, RP07593, RTR-008775, TRA0012531, VP80249, N-BOC-4-METHYL ISONIPECOTIC ACID, AJ-35754, AK-28948, AN-13783, BC203649, BR-28948, DS-11239, SC-22717, SY002329, AB0005575, AB1001334, DB-011809, ST1040204, TR-008775, 1-N-Boc-4-methylpiperidine-4-carboxylicacid, 4CH-013348, AM20090106, FT-0081988, FT-0602151, W4077, 1-n-boc-4-methylpiperidine-4-carboxylic acid, C-8054, N-tert-butoxycarbonyl-4-methylisonipecotic acid, MFCD02179132 (97+%), n-boc-4-methyl-4-methylpiperidinecarboxylic acid, 321B639, A813317, I14-8870, W-206396, 1(tert-butoxycarbonyl)-4-methylpiperidine-4-carboxylic acid, 1-(t-Butoxycarbonyl)-4-methylpiperidine-4-carboxylic acid, 1-tert-Butoxycarbonyl-4-methyl-4-piperidinecarboxylic acid, 4-methylpiperidine-1,4-dicarboxylic acid mono-tert-butyl ester, 1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-methyl-4-piperidinecarboxylic acid, 4-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid, null, Imiloxan, C12H21NO4, A1384, 1,4-PIPERIDINEDICARBOXYLIC ACID, 4-METHYL-, 1-(1,1-DIMETHYLETHYL) ESTER, 1-Boc-4-methylpiperidine-4-carboxylic acid; 1-Boc-4-methyl-4-piperidinecarboxylic acid,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.147g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.303g/mol
Monoisotopic Mass	243.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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