AG0021WS

180307-56-6 | 1-Piperidinecarboxylic acid, 4-ethenyl-, 1,1-dimethylethyl ester

AG0021WS

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CAS Number	180307-56-6
Catalog Number	AG0021WS(AGN-PC-0NCOCT)
Chemical Name	1-Piperidinecarboxylic acid, 4-ethenyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-ethenylpiperidine-1-carboxylate
InChI	InChI=1S/C12H21NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h5,10H,1,6-9H2,2-4H3
InChI Key	LKUCYFONIRHGSQ-UHFFFAOYSA-N
MDL Number	MFCD11036128
Molecular Formula	C12H21NO2
Molecular Weight	211.3006
SMILES	C(=O)(OC(C)(C)C)N1CCC(CC1)C=C
Synonyms	180307-56-6, tert-butyl 4-vinylpiperidine-1-carboxylate, 1-Boc-4-Vinylpiperidine, 1-Boc-4-vinyl-piperidine, Tert-butyl 4-ethenylpiperidine-1-carboxylate, 4-Ethenylpiperidine-1-carboxylic acid tert-butyl ester, 4-Vinyl-piperidine-1-carboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 4-ethenyl-, 1,1-dimethylethyl ester, tert-Butyl4-vinylpiperidine-1-carboxylate, 1-N-Boc-4-vinylpiperidine, SCHEMBL4402979, CTK4D7578, DTXSID10448075, LKUCYFONIRHGSQ-UHFFFAOYSA-N, KS-00000HB1, ANW-52180, FC0501, MFCD11036128, ZINC39325932, AKOS015837009, CB-2983, CS-W023013, RP07585, RTR-008277, AJ-99833, AK-28911, AN-30567, BR-28911, CJ-19928, DS-11222, AB0022950, DB-002944, TR-008277, 4CH-007783, A3995, AM20090063, FT-0647426, ST24031826, W3917, S-5587, 307B566, 4-Vinylpiperidine-1-carboxylic acid tert-butyl ester, I12-0446, W-206280, 4-vinyl-piperidine-1-carboxylic acid tert-butyl ester357, 1-Piperidinecarboxylicacid, 4-ethenyl-, 1,1-dimethylethyl ester, C12H21NO2, CID10910832,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.157g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.305g/mol
Monoisotopic Mass	211.157g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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