AG00278B

179756-91-3 | Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-

AG00278B

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CAS Number	179756-91-3
Catalog Number	AG00278B(AGN-PC-0KKYTJ)
Chemical Name	Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-
IUPAC Name	2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine
InChI	InChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2
InChI Key	WBJVPAABGFBMJQ-UHFFFAOYSA-N
MDL Number	MFCD00203912
Molecular Formula	C9H11F3N4
Molecular Weight	232.2056
SMILES	FC(C1=NC(N2CCNCC2)=NC=C1)(F)F
Synonyms	179756-91-3, 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine, 1-(4-Trifluoromethylpyrimidin-2-yl)piperazine, 2-Piperazin-yl-4-(trifluoromethyl)pyrimidine, 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine, 1-[4-(Trifluoromethyl)pyrimid-2-yl]piperazine, 2-(piperazin-2-yl)-4-(trifluoromethyl)pyrimidine, 4-(Trifluoromethyl)-2-(piperazin-1-yl)pyrimidine, Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-, 2-piperazin-1-yl-4-trifluoromethyl-pyrimidine, 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine, 2-piperazinyl-4-(trifluoromethyl)pyrimidine, AC1Q4JFX, AC1MCT28, KSC537G7N, SCHEMBL230177, CHEMBL2335157, CTK4D7376, DTXSID80380872, WBJVPAABGFBMJQ-UHFFFAOYSA-N, ACT03744, ZINC2557559, ANW-56587, CP-593, MFCD00203912, RW2634, SBB022824, STK350024, TD8162, AKOS000311568, ACN-028929, FS-1112, MCULE-4303112896, NE54767, QC-8926, RP05586, RTC-070192, TRA0002708, KS-00000N83, AC-28127, AJ-40051, AK-27794, AN-30737, HC210523, AB0040435, DB-012967, TC-070192, 4CH-021403, A3987, FT-0645338, ST24039714, ST45123386, Y8038, 1[4-(trifluoromethyl)pyrimid-2-yl]piperazine, 2-Piperazin-I-yl-4-trifluoromethyl-pyrimidine, EN300-69723, 1-(4-trifluoromethyl-pyrimidin-2-yl)piperazine, 756T913, I14-7933, Pyrimidine,2-(1-piperazinyl)-4-(trifluoromethyl)-, W-206272, 1-[4-(trifluoromethyl)pyrimid-2-yl]piperazine ,97%, 1-[4-(trifluoromethyl)-2-pyrimidinyl]piperazine, 97%, Z1263824427, 1-[4-(trifluoromethyl)pyrimid-2-yl]piperazine, AldrichCPR, C9H11F3N4, CID2778334, 2-(Piperazin-1-yl)-4-trifluoromethylpyrimidine, 2-(1-Piperazinyl)-4-(trifluoromethyl)pyrimidine, 18294-87-6,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.094g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.21g/mol
Monoisotopic Mass	232.094g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number