AG002W9F

287193-00-4 | 1-Pyrrolidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester

AG002W9F

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CAS Number	287193-00-4
Catalog Number	AG002W9F(AGN-PC-0A1QCP)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-ethynylpyrrolidine-1-carboxylate
InChI	InChI=1S/C11H17NO2/c1-5-9-6-7-12(8-9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3
InChI Key	KTDGOUSDBBFBRO-UHFFFAOYSA-N
MDL Number	MFCD00270338
Molecular Formula	C11H17NO2
Molecular Weight	195.2582
SMILES	CC(C)(C)OC(=O)N1CCC(C1)C#C
Synonyms	1-Boc-3-Ethynylpyrrolidine, 287193-00-4, tert-butyl 3-ethynylpyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester, AK-37975, PubChem18403, N-Boc-3-ethynylpyrrolidine, 1-N-Boc-3-ethynylpyrrolidine, SCHEMBL1901176, CTK8B7436, DTXSID70708369, KTDGOUSDBBFBRO-UHFFFAOYSA-N, RD-39, KS-000003QU, ANW-57288, FCH882183, MFCD10698160, AKOS006303666, CB-3346, DS-2204, PB22430, ACM287193004, AB0052186, AX8224209, DB-067972, TC-146033, 4CH-011291, AM20090373, FT-0735214, ST24021230, Z4547, tert-butyl 3-ethynyl-1-pyrrolidinecarboxylate, EN300-244615, Q-3844, 3-Ethynyl-pyrrolidine-1-carboxylic acid tert-butyl ester, Z1741980279, 1-Pyrrolidinecarboxylic acid, 3-ethynyl-,1,1-dimethyl ester, 1-Pyrrolidinecarboxylic acid,3-ethynyl-,1,1-dimethyl ethyl ester, 3-ETHYNYL-1-PYRROLIDINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER, (S)-1-Boc-3-Ethynylpyrrolidine, (R)-1-Boc-3-Ethynylpyrrolidine, C11H17NO2, 1-Pyrrolidinecarboxylicacid,3-ethynyl-,1,1-dimethylethylester, 785051-40-3, tert-Butyl 3-ethynylpyrrolidine-1-carboxylate, 95% - 1G 1g, 785051-41-4,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.126g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.262g/mol
Monoisotopic Mass	195.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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