AG00G33A

858643-92-2 | 3-Acetyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester

AG00G33A

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CAS Number	858643-92-2
Catalog Number	AG00G33A(AGN-PC-050SDW)
Chemical Name	3-Acetyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester
IUPAC Name	tert-butyl 3-acetylpiperidine-1-carboxylate
InChI	InChI=1S/C12H21NO3/c1-9(14)10-6-5-7-13(8-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
InChI Key	IIDISJMZFQAYKG-UHFFFAOYSA-N
MDL Number	MFCD09953372
Molecular Formula	C12H21NO3
Molecular Weight	227.3000
SMILES	C(=O)(OC(C)(C)C)N1CC(C(=O)C)CCC1
Synonyms	tert-butyl 3-acetylpiperidine-1-carboxylate, 858643-92-2, 3-Acetyl-piperidine-1-carboxylic acid tert-butyl ester, 3-acetyl-1-piperidinecarboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester, 1-Boc-3-acetylpiperidine, 1-N-BOC-3-ACETYLPIPERIDINE, 942143-25-1, PubChem17598, (S)-tert-Butyl 3-acetylpiperidine-1-carboxylate, 1-Boc-3-acetyl-piperidine, AC1Q1K1C, SCHEMBL2728409, CTK5J9815, DTXSID00649514, IIDISJMZFQAYKG-UHFFFAOYSA-N, 1008563-06-1, KS-00000P1C, 3375AC, ANW-53161, MFCD09953372, RW3106, RW3787, WT1069, AKOS004910645, AB55331, Butyl 3-acetylpiperidine-1-carboxylate, CB-3845, CS-W000697, QC-2289, WT81930, AC-28241, AK-59681, AM101368, DS-16339, SC-32802, tert-butyl3-acetylpiperidine-1-carboxylate, AB0081483, DB-083269, TC-063426, TX-017996, FT-0719998, ST24025886, EN300-59581, tert-butyl 3-ethanoylpiperidine-1-carboxylate, Z-5094, A841469, 3-Acetyl-piperidine-1-carboxylic acid tert-butyl e, S14-2375, 3-Acetylpiperidine-1-carboxylic acid tert-butyl ester, F8880-1052, 858643-92-2 tert-butyl 3-acetylpiperidine-1-carboxylate, (R)-1-Boc-3-acetylpiperidine, C12H21NO3, tert-Butyl (3R)-3-acetylpiperidine-1-carboxylate,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.304g/mol
Monoisotopic Mass	227.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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