AG0037RU

143238-38-4 | acetic acid; tert-butyl piperazine-1-carboxylate

AG0037RU

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CAS Number	143238-38-4
Catalog Number	AG0037RU(AGN-PC-03HEUR)
Chemical Name	acetic acid; tert-butyl piperazine-1-carboxylate
IUPAC Name	acetic acid;tert-butyl piperazine-1-carboxylate
InChI	InChI=1S/C9H18N2O2.C2H4O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2(3)4/h10H,4-7H2,1-3H3;1H3,(H,3,4)
InChI Key	VRYAIUMHCRSUDX-UHFFFAOYSA-N
MDL Number	MFCD00075265
Molecular Formula	C11H22N2O4
Molecular Weight	246.3034
SMILES	O=C(N1CCNCC1)OC(C)(C)C.CC(O)=O
Synonyms	143238-38-4, tert-Butyl piperazine-1-carboxylate acetate, 1-Boc-piperazine acetate, 1-Piperazinecarboxylic acid, 1,1-dimethylethyl ester, monoacetate, 1-Piperazinecarboxylic acid, 1,1-dimethylethyl ester, acetate (1:1), SCHEMBL4367751, KS-00000ZAR, ANW-47664, MFCD12910473, AKOS015842067, t-Butyl piperazine-1-carboxylate acetate, AK-78013, BR-78013, AB0022289, AB1007064, AX8220024, ST2407736, TC-136409, W3117, acetic acid tert-butyl piperazine-1-carboxylate, S-3712, A808042, tert-butyl piperazine-1-carboxylate; ethanoic acid, acetic acid; 1-piperazinecarboxylic acid tert-butyl ester, 1-Boc-piperazine,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.158g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	246.307g/mol
Monoisotopic Mass	246.158g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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