AG001NIP

154992-24-2 | Benzonitrile, 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)-

AG001NIP

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CAS Number	154992-24-2
Catalog Number	AG001NIP(AGN-PC-0Q6TID)
Chemical Name	Benzonitrile, 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)-
IUPAC Name	4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
InChI Key	ARBYGDBJECGMGA-UHFFFAOYSA-N
MDL Number	MFCD00925776
Molecular Formula	C17H18F3N3O3
Molecular Weight	369.3383
SMILES	CC1(C)N(CCCCO)C(=O)N(C1=O)C1=CC(=C(C=C1)C#N)C(F)(F)F
UNII	0D8FJQ0ADW
Synonyms	4-(4,4-dimethyl-2,5-dioxo-3-(4-hydroxybutyl)-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile, Benzonitrile, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-, RU 58841, RU-58841, RU58841, 154992-24-2, RU 58841, RU58841, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile, RU-58841, ARBYGDBJECGMGA-UHFFFAOYSA-N, UNII-0D8FJQ0ADW, 0D8FJQ0ADW, CHEMBL9337, 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, AK-64424, 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile, Benzonitrile, 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)-, Benzonitrile, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-, PubChem22486, AC1L31Y6, SCHEMBL1461459, BDBM25428, CTK4C8488, DTXSID20165781, EX-A825, HMR3841, PSK3841, BCPP000084, BCP02369, KS-00000OQ1, ZINC1538192, ABP000889, ANW-66315, MFCD00925776, AKOS015899940, ACN-029382, CS-0420, QC-8147, SB19035, NCGC00378632-02, 4-(4,4-Dimethyl-2,5-dioxo-3-(4-hydroxybutyl)-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile, 4CA-1117, AC-28139, AJ-26836, BC282928, HY-10561, AB0035826, AX8212469, TC-155060, A3780, CAS#154992-24-2, FT-0660416, ST24042878, Y0231, A25490, W-5222, J-690206, I14-11576, I14-15750, (2S)-1-{2,6-Dimethoxy-4-[(2-methyl-3-biphenylyl)methoxy]benzyl}-2-piperidinecarboxylic acid, 4-(4,4-dimethyl 2,5-dioxo 3-(4-hydroxy butyl) 1-imidazolidinyl) 2-(trifluoromethyl) benzonitrile, 4-(4,4-dimethyl-2,5-dioxo-3-(4-hydroxybutyl) 1-imidazolidinyl)-2-(trifluoromethyl)-benzonitrile, 4-(4,4-dimethyl-2,5-dioxo-3-(4-hydroxybutyl)-1-imidazolidinyl)-2-(trifluoromethyl)-benzonitrile, 4-(4,4-Dimethyl-2,5-dioxo-3-(4-hydroxybutyl)1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile, 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-trifluoromethylbenzonitrile, Benzonitrile,4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)-, D0L5KF, C17H18F3N3O3, CID132981, C17-H18-F3-N3-O3, A11541, 4-(4,4-Dimethyl-2,5-dioxo-3-(4-hydroxybutyl)1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile;4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile,

Complexity	611
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	369.13g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	369.344g/mol
Monoisotopic Mass	369.13g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	84.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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