AG001PDO

157327-41-8 | 1-Boc-3-((dimethylamino)methylene)-4-oxopiperidine

AG001PDO

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CAS Number	157327-41-8
Catalog Number	AG001PDO(AGN-PC-03K5BL)
Chemical Name	1-Boc-3-((dimethylamino)methylene)-4-oxopiperidine
IUPAC Name	tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate
InChI	InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-11(16)10(9-15)8-14(4)5/h8H,6-7,9H2,1-5H3/b10-8-
InChI Key	YUSMZDVTEOAHDL-NTMALXAHSA-N
MDL Number	MFCD08443986
Molecular Formula	C13H22N2O3
Molecular Weight	254.3254
SMILES	O=C1/C(CN(C(OC(C)(C)C)=O)CC1)=CN(C)C
Synonyms	157327-41-8, tert-Butyl 3-((dimethylamino)methylene)-4-oxopiperidine-1-carboxylate, 1-Boc-3-((Dimethylamino)methylene)-4-oxopiperidine, 1-BOC-3-[(DIMETHYLAMINO)METHYLENE]-4-OXOPIPERIDINE, 3-[(Dimethylamino)methylene]piperidin-4-one, N1-BOC protected, tert-Butyl 3-[(dimethylamino)methylene]-4-oxopiperidine-1-carboxylate, (Z)-tert-butyl 3-((dimethylamino)methylene)-4-oxopiperidine-1-carboxylate, 3-Dimethylaminomethylene-4-oxo-piperidine-1-carboxylic acid tert-butyl ester, tert-butyl 3-[(dimethylamino)methylene]-4-oxotetrahydro-1(2H)-pyridinecarboxylate, AK-28235, YUSMZDVTEOAHDL-NTMALXAHSA-N, 1310796-19-0, ZX-AT005732, MFCD08443986, ZINC36532744, AKOS015850690, CS-W003515, FCH3595800, FCH3667899, FCH4115013, OR15082, RTX-011339, AJ-93059, DS-10934, PS-11072, AB0057616, AX8157973, TR-064396, 4CH-007870, Z4220, EN300-218551, M-8635, I12-0575, F2167-1224, 3-[(Dimethylamino)methylene]piperidin-4-one, N-BOC protected, tert-butyl (Z)-3-((dimethylamino)methylene)-4-oxopiperidine-1-carboxylate, tert-butyl 3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate, 3-[1-Dimethylaminometh-(Z)-ylidene]-4-oxopiperidine-1-carboxylic acid tert-butyl ester, C13H22N2O3,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	254.163g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.33g/mol
Monoisotopic Mass	254.163g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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