AG002N4Z

234108-58-8 | 1-Piperazinecarboxylic acid, 4-(2-aminoethyl)-3-oxo-, 1,1-dimethylethyl ester

AG002N4Z

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CAS Number	234108-58-8
Catalog Number	AG002N4Z(AGN-PC-0A2FBG)
Chemical Name	1-Piperazinecarboxylic acid, 4-(2-aminoethyl)-3-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-(2-aminoethyl)-3-oxopiperazine-1-carboxylate
InChI	InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-7-6-13(5-4-12)9(15)8-14/h4-8,12H2,1-3H3
InChI Key	MCRRSQHTAKWRQS-UHFFFAOYSA-N
MDL Number	MFCD28053710
Molecular Formula	C11H21N3O3
Molecular Weight	243.3027
SMILES	NCCN1C(CN(CC1)C(=O)OC(C)(C)C)=O
Synonyms	tert-butyl 4-(2-aminoethyl)-3-oxopiperazine-1-carboxylate, 234108-58-8, AK162763, 4-(tert-butyloxycarbonyl)-1-(2-aminoethyl)-piperazin-2-one, SCHEMBL4390630, MCRRSQHTAKWRQS-UHFFFAOYSA-N, MFCD28053710, ZINC77871484, AKOS023846899, DS-7911, FCH2900915, DA-43122, AX8294783, FT-0720609, 1-(2-Aminoethyl)-4-(tert-butyloxycarbonyl)-piperazin-2-one, tert-butyl 4-(2-aminoethyl)-3 -oxopiperazine-1 -carboxylate, 1-Piperazinecarboxylic acid, 4-(2-aminoethyl)-3-oxo-, 1,1-dimethylethyl ester,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.158g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.307g/mol
Monoisotopic Mass	243.158g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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