AG003IB4

27389-57-7 | N,N,N-Trimethyl-3-(trifluoromethyl)benzenaminium iodide

AG003IB4

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CAS Number	27389-57-7
Catalog Number	AG003IB4(AGN-PC-0R37ID)
Chemical Name	N,N,N-Trimethyl-3-(trifluoromethyl)benzenaminium iodide
IUPAC Name	trimethyl-[3-(trifluoromethyl)phenyl]azanium;iodide
InChI	InChI=1S/C10H13F3N.HI/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;/h4-7H,1-3H3;1H/q+1;/p-1
InChI Key	VKZIUXSJJSEBAK-UHFFFAOYSA-M
MDL Number	MFCD00059980
Molecular Formula	C10H13F3IN
Molecular Weight	331.1166
SMILES	C(F)(F)(F)C1=CC=CC(=C1)[N+](C)(C)C.[I-]
Synonyms	27389-57-7, 3-(Trifluoromethyl)phenyltrimethylammonium Iodide, N,N,N-Trimethyl-3-(trifluoromethyl)benzenaminium iodide, 3-(trifluoromethyl)phenyl trimethylammonium iodide, Trimethyl-[3-(trifluoromethyl)phenyl]azanium Iodide, m-TFPTAI, ACMC-1CR5H, AC1MC3G2, SCHEMBL2352844, CTK4F9596, DTXSID00375341, KS-000016VT, ANW-26184, MFCD00059980, AKOS015833368, ACM27389577, TR-012298, FT-0676379, 3-(Trifluoromethyl)phenyltrimethylammoniumIodide, Trimethyl-3-trifluoromethylphenylammonium Iodide, Trifluoromethylphenyltrimethylammoniumiodide; 98%, A819044, C-44670, trimethyl-[3-(trifluoromethyl)phenyl]ammonium iodide, Trimethyl[3-(trifluoromethyl)phenyl]ammonium iodide, I14-108788, Benzenaminium,N,N,N-trimethyl-3-(trifluoromethyl)-, iodide (1:1), CID2760773, Trifluoromethylphenyltrimethylammoniumiodide, T1014,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	331.004g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.121g/mol
Monoisotopic Mass	331.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number