AG00FAKX

664362-16-7 | 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester

AG00FAKX

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CAS Number	664362-16-7
Catalog Number	AG00FAKX(AGN-PC-03IDXG)
Chemical Name	1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-ethynylpiperidine-1-carboxylate
InChI	InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
InChI Key	IJHRDEPFBAXIMW-UHFFFAOYSA-N
MDL Number	MFCD10698159
Molecular Formula	C12H19NO2
Molecular Weight	209.2848
SMILES	CC(C)(C)OC(=O)N1CCCC(C1)C#C
Synonyms	664362-16-7, 1-Boc-3-Ethynylpiperidine, tert-butyl 3-ethynylpiperidine-1-carboxylate, 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester, PubChem18396, tert-butyl (3S)-3-ethynylpiperidine-1-carboxylate, 1-N-Boc-3-ethynylpiperidine, SCHEMBL192227, AC1Q1N34, 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl esteR, (3R)-, CTK8B8253, DTXSID10620879, IJHRDEPFBAXIMW-UHFFFAOYSA-N, KS-000003QW, 0209AC, ANW-59766, MFCD10698159, AKOS016003745, CB-3335, CS-W003948, PB13299, RL04538, AK-37973, AN-27705, DS-13114, SC-22492, AB0049239, DB-073756, TC-148511, tert-Butyl3-ethynylpiperidine-1-carboxylate, 4CH-005429, AM20100610, FT-0084603, FT-0660290, ST24037810, EN300-71552, C-8314, 362P167, A835464, 1-Piperidinecarboxylic acid,3-ethynyl-,1,1-dimethy, J-524538, 3-ethynyl-1-piperidinecarboxylic acid tert-butyl ester, 3-Ethynyl-1-piperidinecarboxylicacid1,1-dimethylethylester, 3-ETHYNYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, C12H19NO2, ACN-039571, C3014, 287192-98-7, 287192-99-8,

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

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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