AG00BCUT

255864-58-5 | 1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester

AG00BCUT

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CAS Number	255864-58-5
Catalog Number	AG00BCUT(AGN-PC-0A3Y6M)
Chemical Name	1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-ethynylpiperidine-1-carboxylate
InChI	InChI=1S/C12H19NO2/c1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
InChI Key	OLYLUYXEZAJXAC-UHFFFAOYSA-N
MDL Number	MFCD13189966
Molecular Formula	C12H19NO2
Molecular Weight	209.2848
SMILES	C#CC1N(C(OC(C)(C)C)=O)CCCC1
Synonyms	255864-58-5, 1-Boc-2-Ethynylpiperidine, TERT-BUTYL 2-ETHYNYLPIPERIDINE-1-CARBOXYLATE, 1-PIPERIDINECARBOXYLIC ACID, 2-ETHYNYL-, 1,1-DIMETHYLETHYL ESTER, 1-N-Boc-2-ethynylpiperidine, PubChem18397, SCHEMBL525478, CTK8B8959, KS-00000HYJ, DTXSID00578991, OLYLUYXEZAJXAC-UHFFFAOYSA-N, 2103AB, ANW-61650, MFCD13189966, AKOS016002934, AB69489, CB-3339, AK-37974, DS-13115, DB-067428, TC-150395, FT-0698109, ST24037807, 864P585, 2-Ethynylpiperidine-1-carboxylic acid tert-butyl ester, 2-Ethynyl-1-Piperidinecarboxylicacid1,1-dimethylethylester, 2-Ethynyl-piperidine, C12H19NO2, ACN-039568,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.142g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.289g/mol
Monoisotopic Mass	209.142g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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