AG0036DZ

85909-08-6 | tert-Butyl 2-oxopyrrolidine-1-carboxylate

AG0036DZ

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CAS Number	85909-08-6
Catalog Number	AG0036DZ(AGN-PC-0JPVSK)
Chemical Name	tert-Butyl 2-oxopyrrolidine-1-carboxylate
EC Number	617-776-7
IUPAC Name	tert-butyl 2-oxopyrrolidine-1-carboxylate
InChI	InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3
InChI Key	GJJYYMXBCYYXPQ-UHFFFAOYSA-N
MDL Number	MFCD00674099
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
NSC Number	662770
SMILES	O=C1N(CCC1)C(=O)OC(C)(C)C
UNII	9GS4FVG7EW
Synonyms	85909-08-6, tert-butyl 2-oxopyrrolidine-1-carboxylate, 1-(tert-Butoxycarbonyl)-2-pyrrolidinone, tert-Butyl 2-oxo-1-pyrrolidinecarboxylate, N-boc-pyrrolidone, N-Boc-2-pyrrolidinone, UNII-9GS4FVG7EW, NSC662770, 9GS4FVG7EW, 1-pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester, 1-Pyrrolidinecarboxylicacid, 2-oxo-, 1,1-dimethylethyl ester, zlchem 667, NSC 662770, N-Boc-2-oxopyrrolidine, 1-BOC-2-Pyrrolidinone, AC1Q5XOI, ACMC-209q7q, AC1L8DY5, SCHEMBL205421, 1-BOC-PYRROLIDIN-2-ONE, CHEMBL1996540, CTK5F5949, DTXSID60235235, ZLD0119, GJJYYMXBCYYXPQ-UHFFFAOYSA-N, 2-OXO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, ACT05907, CS-M1641, ZINC4977458, ANW-38244, EBD219160, KM2370, MFCD00674099, 1-(t-butoxycarbonyl)-2-pyrrolidinone, AKOS015841632, AB06934, MCULE-5910527763, N-tert-Butyloxycarbonyl-2-pyrrolidinone, NSC-662770, RP03380, SS-3403, tert-butyl oxopyrrolidine-1-carboxylate, TRA0069611, VZ21032, 1-(tert-Butoxy)carbonyl-pyrrolidin-2-one, 1-(tert-Butoxycarbonyl)-2-oxopyrrolidine, 1-(tert-Butoxycarbonyl)pyrrolidine-2-one, AC-24502, AJ-52758, AK-36586, NCI60_021677, SC-12001, SY030188, Tert butyl-2-oxo-1-pyrrolidinecarboxylate, tert-Butyl-2-oxo-1-pyrrolidinecarboxylate, Tert.butyl-2-oxo-1-pyrrolidinecarboxylate, PYRROLIDIN-2-ONE, N-BOC PROTECTED, ST2407647, tert-butyl 2-oxo-pyrrolidine-1-carboxylate, TX-012492, FT-0652511, W8831, MFCD00674099 (95%), 1-(tert-Butoxycarbonyl)-2-pyrrolidinone, 97%, 2-Oxopyrrolidine-1-carboxylic acid t-butyl ester, 1,1-dimethylethyl 2-oxo-1-pyrrolidinecarboxylate, 2-oxo-pyrrolidin-1-carboxylic acid t-butyl ester, 2-oxo-pyrrolidine-1-carboxylic acid tert-butyl est, J-524459, S14-0638, InChI=1/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H, n-boc-pyrrolidinone, 1- -2-PYRROLIDINONE, C9H15NO3, AR-1L6014, CID379000, ACN-046022, tert-Butyl2-oxopyrrolidine-1-carboxylate, C2057, 13325-10-5, 87223-77-6,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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