AG00EE49

6511-88-2 | Piperazine, 1-(trifluoroacetyl)- (7CI,8CI,9CI)

AG00EE49

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CAS Number	6511-88-2
Catalog Number	AG00EE49(AGN-PC-0LX8TK)
Chemical Name	Piperazine, 1-(trifluoroacetyl)- (7CI,8CI,9CI)
IUPAC Name	2,2,2-trifluoro-1-piperazin-1-ylethanone
InChI	InChI=1S/C6H9F3N2O/c7-6(8,9)5(12)11-3-1-10-2-4-11/h10H,1-4H2
InChI Key	VCMQRVDQQAMQTJ-UHFFFAOYSA-N
MDL Number	MFCD07782176
Molecular Formula	C6H9F3N2O
Molecular Weight	182.1437
SMILES	O=C(N1CCNCC1)C(F)(F)F
Synonyms	6511-88-2, Trifluoroacetylpiperazine, 2,2,2-trifluoro-1-(piperazin-1-yl)ethanone, 1-(trifluoroacetyl)piperazine, 1-(TRIFLUOROACETYL)-PIPERAZINE, 2,2,2-trifluoro-1-piperazin-1-ylethanone, AC1OGP9A, 2,2,2-trifluoro-1-piperazin-1-yl-ethanone, 1-trifluoroacetylpiperazine, SCHEMBL696750, CTK7F4521, DTXSID60428266, Piperazine, 1-(trifluoroacetyl)-, VCMQRVDQQAMQTJ-UHFFFAOYSA-N, MFCD07782176, Trifluoroacetylpiperazine, AldrichCPR, ZINC31829383, 1-(2,2,2-Trifluoroacetyl)piperazine, AKOS012406094, MCULE-7927822261, AM804196, AS-30288, 2,2,2-trifluoro-1-piperazinylethan-1-one, 2.2,2-trifluoro-1-piperazin-1-yl-ethanone, ST51042250, 2,2,2-trifluoro-1-(piperazin-1-yl)ethan-1-one, F8886-5215, Piperazine,1- -, CID7172020,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.067g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.146g/mol
Monoisotopic Mass	182.067g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

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