AG002KCT

209667-59-4 | 1-Boc-4-(ethoxycarbonylmethyl)piperazine

AG002KCT

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CAS Number	209667-59-4
Catalog Number	AG002KCT(AGN-PC-03NZ85)
Chemical Name	1-Boc-4-(ethoxycarbonylmethyl)piperazine
IUPAC Name	tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate
InChI	InChI=1S/C13H24N2O4/c1-5-18-11(16)10-14-6-8-15(9-7-14)12(17)19-13(2,3)4/h5-10H2,1-4H3
InChI Key	BWRNREIEPIQCOI-UHFFFAOYSA-N
MDL Number	MFCD06795955
Molecular Formula	C13H24N2O4
Molecular Weight	272.3407
SMILES	O=C(N1CCN(CC(OCC)=O)CC1)OC(C)(C)C
Synonyms	209667-59-4, tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate, 1-BOC-4-ETHOXYCARBONYLMETHYL PIPERAZINE, Ethyl 2-(4-Boc-1-piperazinyl)acetate, 1-BOC-4-ETHOXYCARBONYLMETHYLPIPERAZINE, 1-Boc-4-(ethoxycarbonylmethyl)piperazine, TERT-BUTYL 4-[(ETHOXYCARBONYL)METHYL]PIPERAZINE-1-CARBOXYLATE, SCHEMBL1088524, CTK4E5560, DTXSID80624743, BWRNREIEPIQCOI-UHFFFAOYSA-N, ethyl 4-Boc-piperazin-1-ylacetate, CS-D0818, ANW-47311, MFCD06795955, ZINC32915052, AKOS015918825, AB29290, CB-1932, RP07720, AJ-85719, AS-11517, BR-49560, SY030196, AB0010231, RT-018205, ST2419954, FT-0684863, J3.613.782G, MFCD06795955 (95%), M-1428, 1-t-butoxycarbonyl-4-carboethoxymethylpiperazine, 1-N-BOC-4-(ETHOXYCARBONYLMETHYL)PIPERAZINE, 667B594, S13-0004, W-206581, t-butyl 4-(2-ethoxy-2-oxoethyl)-1-piperazinecarboxylate, 4-(tert-Butoxycarbonyl)-1-(ethoxycarbonylmethyl)piperazine, 4-(tert-Butoxycarbonyl)piperazine-1-acetic acid ethyl ester, 4-(tert-Butoxycarbonyl)- 1 -(ethoxycarbonylmethyl)piperazine, 4-ethoxycarbonylmethyl-piperazine-1-carboxylic acid tert-butyl ester, 1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester, 1-PIPERAZINEACETIC ACID, 4-[(1,1-DIMETHYLETHOXY)CARBONYL]-, ETHYL ESTER, C13H24N2O4,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.174g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.345g/mol
Monoisotopic Mass	272.174g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	59.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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