AG003K4L

694499-26-8 | 4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline

AG003K4L

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CAS Number	694499-26-8
Catalog Number	AG003K4L(AGN-PC-07YMQ7)
Chemical Name	4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
InChI	InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChI Key	ZMWAZMYBMAAMAW-UHFFFAOYSA-N
MDL Number	MFCD09909924
Molecular Formula	C13H18F3N3
Molecular Weight	273.2973
SMILES	NC1=CC=C(CN2CCN(C)CC2)C(C(F)(F)F)=C1
Synonyms	694499-26-8, 4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline, 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline, 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline, Benzenamine, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-, 4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline, AK-83227, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)Benzenamine, ACMC-209o8k, SCHEMBL273351, CTK1J1084, DTXSID60676604, ZMWAZMYBMAAMAW-UHFFFAOYSA-N, C13H18F3N3, ALBB-031336, BCP08490, CS-M1483, KS-000001WZ, ANW-35682, MFCD09909924, ZINC72194394, AKOS015902377, AM85295, LS41135, PC51192, QC-5181, SB17752, TRA0009143, AS-18507, SY012662, AB0026295, AB1004706, AJ-119565, AX8226534, DB-074172, TC-124427, 4CH-011476, FT-0698854, ST24021949, W7927, MFCD09909924 (97%), M-9745, I14-20111, methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline, 3-trifluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-aniline, 4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-aniline, 4((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline, 4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-aniline, 4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline, 4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenylamine, 4-((4-Methylpiperazin-1-yl)methyl)-3-trifluoromethylphenylamine; 4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline, Benzenamine, 2-Amino-3-bromo-5-fluoropyridine, ACN-051777, 4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzenamine, 869557-43-7,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.145g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.303g/mol
Monoisotopic Mass	273.145g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	32.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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