AG003KU9

59878-28-3 | 4-Boc-1-piperazinecarbonyl Chloride

AG003KU9

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CAS Number	59878-28-3
Catalog Number	AG003KU9(AGN-PC-007099)
Chemical Name	4-Boc-1-piperazinecarbonyl Chloride
IUPAC Name	tert-butyl 4-carbonochloridoylpiperazine-1-carboxylate
InChI	InChI=1S/C10H17ClN2O3/c1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14/h4-7H2,1-3H3
InChI Key	NCIQNWYJLAAFAH-UHFFFAOYSA-N
MDL Number	MFCD09028534
Molecular Formula	C10H17ClN2O3
Molecular Weight	248.7066
SMILES	O=C(Cl)N1CCN(C(OC(C)(C)C)=O)CC1
Synonyms	4-Boc-1-piperazinecarbonyl Chloride, 59878-28-3, tert-butyl 4-(chlorocarbonyl)piperazine-1-carboxylate, Tert-butyl 4-(carbonochloridoyl)piperazine-1-carboxylate, 4-chlorocarbonyl-piperazine-1-carboxylic acid tert-butyl ester, 4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIc acid TERT-BUTYLESTER, 1-Piperazinecarboxylic acid, 4-(chlorocarbonyl)-, 1,1-dimethylethyl ester, SCHEMBL485772, Tert-butyl 4-carbonochloridoylpiperazine-1-carboxylate, CTK5B0634, KS-00000AWY, DTXSID50462710, NCIQNWYJLAAFAH-UHFFFAOYSA-N, 4-Boc-1-piperazinecarbonylChloride, 1-Boc-4-(chlorocarbonyl)piperazine, MFCD09028534, ZINC34485836, AKOS024257464, SB11269, TRA-0198096, AS-44783, CJ-18407, SY024237, AB0063432, TX-013185, Y2030, Z-3500, 1-chlorocarbonyl-4-tert-butoxycarbonylpiperazine, 4-tert-butoxycarbonyl-1-chlorocarbonylpiperazine, MFCD09028534 (95+%), tert-butyl 4-chlorocarbonyl-1-piperazinecarboxylate, tert-Butyl 4-chlorocarbonyl-piperazine-1-carboxylate, tert-butyl 4-chlorocarbonylpiperazine-1-carboxylate, tert-Butyl 4-chlorocarbonyl-piperazine-1 -carboxylate, 4-(2-methyl-2-propyloxycarbonyl)piperazine-1-carbonylchloride, 4-chlorocarbonylpiperazine-1-carboxylic acid tert-butyl ester, 1-Piperazinecarboxylicacid, 4-(chlorocarbonyl)-, 1,1-dimethylethyl ester, C10H17ClN2O3, CID11334154,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.093g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	248.707g/mol
Monoisotopic Mass	248.093g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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