AG00CKTH

362706-25-0 | 1-BOC-5-Methyl-3-pyrrolidinone

AG00CKTH

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CAS Number	362706-25-0
Catalog Number	AG00CKTH(AGN-PC-01V8OA)
Chemical Name	1-BOC-5-Methyl-3-pyrrolidinone
IUPAC Name	tert-butyl 2-methyl-4-oxopyrrolidine-1-carboxylate
InChI	InChI=1S/C10H17NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7H,5-6H2,1-4H3
InChI Key	ABBMDHUKQONVIE-UHFFFAOYSA-N
MDL Number	MFCD22376634
Molecular Formula	C10H17NO3
Molecular Weight	199.2469
SMILES	O=C(N1C(C)CC(C1)=O)OC(C)(C)C
Synonyms	tert-Butyl 2-methyl-4-oxopyrrolidine-1-carboxylate, 362706-25-0, 1-BOC-5-Methyl-3-pyrrolidinone, AK123575, SCHEMBL891999, N-Boc-5-methyl-3-pyrrolidinone, DTXSID40593284, ABBMDHUKQONVIE-UHFFFAOYSA-N, BCP21220, 4600AB, MFCD22376634, AKOS016011920, CS-W019809, DS-7042, FCH1615931, KS-00000R81, DA-18055, SC-71120, AX8247753, ST2407645, 4CH-017291, FT-0739198, 2-Methyl-4-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester, 2-methyl-4-oxo-1-Pyrrolidinecarboxylic acid 1,1-dimethylethyl ester, C10H17NO3, tert-Butyl2-methyl-4-oxopyrrolidine-1-carboxylate, (S)-tert-butyl 2-Methyl-4-oxopyrrolidine-1-carboxylate, 1374673-93-4,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.121g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.25g/mol
Monoisotopic Mass	199.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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