AG002W9G

287192-97-6 | 1-Piperidinecarboxylic acid, 4-ethynyl-, 1,1-dimethylethyl ester

AG002W9G

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CAS Number	287192-97-6
Catalog Number	AG002W9G(AGN-PC-00PN6W)
Chemical Name	1-Piperidinecarboxylic acid, 4-ethynyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-ethynylpiperidine-1-carboxylate
InChI	InChI=1S/C12H19NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
InChI Key	INUWDZDWSJJFSQ-UHFFFAOYSA-N
MDL Number	MFCD09038026
Molecular Formula	C12H19NO2
Molecular Weight	209.2848
SMILES	C#CC1CCN(C(OC(C)(C)C)=O)CC1
Synonyms	287192-97-6, tert-butyl 4-ethynylpiperidine-1-carboxylate, 1-Boc-4-ethynylpiperidine, 4-Ethynylpiperidine-1-carboxylic acid tert-butyl ester, N-Boc-4-ethynylpiperidine, 1-PIPERIDINECARBOXYLIC ACID, 4-ETHYNYL-, 1,1-DIMETHYLETHYL ESTER, 4-ethynyl-piperidine-1-carboxylic acid tert-butyl ester, PubChem19438, N-BOC4-ethynylpiperidin, N-BOC-4-ethynylpiperidin, 1-N-Boc-4-ethynylpiperidine, SCHEMBL427670, CTK4G1973, DTXSID90573995, INUWDZDWSJJFSQ-UHFFFAOYSA-N, BCP14550, KS-000003FW, ANW-49206, CT0167, FC0502, MFCD09038026, ZINC34581058, AKOS015836199, ACN-036313, CB-2620, CS-W009045, PB25108, RL02977, RP04712, AJ-89492, AK-34528, AN-29118, AS-11444, BR-34528, CJ-18485, EN001250, SC-47581, SY033621, AB0009967, AB1008300, DB-038127, ST1040267, Tert-butyl 4-ethynylpiperidin-1-carboxylate, TR-012616, 4CH-004984, A5423, AM20090372, FT-0084597, FT-0648981, tert-butyl-4-ethynylpiperidine-1-carboxylate, MFCD09038026 (95%), tert-butyl 4-ethynyl-piperidine-1-carboxylate, C-8107, 192B976, A819554, I12-0422, J-524701, 4-ethynyl-1-piperidinecarboxylic acid tert-butyl ester, I14-15241, 1-Piperidinecarboxylicacid, 4-ethynyl-, 1,1-dimethylethyl ester, C12H19NO2, C2786,

Complexity	274
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	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

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