AG00IGV8

917562-08-4 | 4-[(2-Aminoethyl)Sulfonyl]-1-Boc-Piperazine

AG00IGV8

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CAS Number	917562-08-4
Catalog Number	AG00IGV8(AGN-PC-0WG3RN)
Chemical Name	4-[(2-Aminoethyl)Sulfonyl]-1-Boc-Piperazine
IUPAC Name	tert-butyl 4-(2-aminoethylsulfonyl)piperazine-1-carboxylate
InChI	InChI=1S/C11H23N3O4S/c1-11(2,3)18-10(15)13-5-7-14(8-6-13)19(16,17)9-4-12/h4-9,12H2,1-3H3
InChI Key	FQXGBCXLSTWQHQ-UHFFFAOYSA-N
MDL Number	MFCD08061827
Molecular Formula	C11H23N3O4S
Molecular Weight	293.3830
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)CCN
Synonyms	917562-08-4, 4-[(2-AMINOETHYL)SULFONYL]-1-BOC-PIPERAZINE, tert-Butyl 4-((2-aminoethyl)sulfonyl)piperazine-1-carboxylate, CTK5H0415, DTXSID50592122, FQXGBCXLSTWQHQ-UHFFFAOYSA-N, KS-00001A0D, MFCD08061827, ZINC32155966, AKOS015996690, AM805077, AS-39528, CS-0036035, tert-Butyl 4-(2-aminoethanesulfonyl)piperazine-1-carboxylate, tert-Butyl 4-[(2-aminoethyl)sulfonyl]-1-piperazinecarboxylate, 4-(2-Amino-ethanesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester; hydrochloride, 4-[(2-aminoethyl)sulfonyl]-1-Piperazinecarboxylic acid 1,1-dimethylethyl ester,

Complexity	403
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.141g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	293.382g/mol
Monoisotopic Mass	293.141g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	101A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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