AG00FH3R

672-46-8 | 2-(Trifluoromethyl)pyrimidine-4,6-diamine

AG00FH3R

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CAS Number	672-46-8
Catalog Number	AG00FH3R(AGN-PC-0JOHQ5)
Chemical Name	2-(Trifluoromethyl)pyrimidine-4,6-diamine
IUPAC Name	2-(trifluoromethyl)pyrimidine-4,6-diamine
InChI	InChI=1S/C5H5F3N4/c6-5(7,8)4-11-2(9)1-3(10)12-4/h1H,(H4,9,10,11,12)
InChI Key	MEHAREFZRGNRJP-UHFFFAOYSA-N
MDL Number	MFCD09743717
Molecular Formula	C5H5F3N4
Molecular Weight	178.1152
NSC Number	54424
SMILES	NC1=CC(N)=NC(=N1)C(F)(F)F
Synonyms	2-(trifluoromethyl)pyrimidine-4,6-diamine, 672-46-8, 4,6-Diamino-2-trifluoromethylpyrimidine, NSC54424, AC1L6CVL, AC1Q4JWJ, CTK5C5928, DTXSID70288171, ZINC1685213, 0346AC, ANW-69468, MFCD09743717, NSC-54424, SBB089369, AKOS006331493, HP21615, AJ-29818, AK-22277, 4,6-Diamino-2-(trifluoromethyl)pyrimidine, DB-073856, TC-158213, 4CH-021763, FT-0711445, ST24039795, C5H5F3N4, AR-1C9955, CID244055, 77890-09-6,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	178.118g/mol
Monoisotopic Mass	178.047g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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

Lot Number