AG003DIX

207857-15-6 | 1,3-DI-BOC-2-(TRIFLUOROMETHYLSULFONYL)GUANIDINE

AG003DIX

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CAS Number	207857-15-6
Catalog Number	AG003DIX(AGN-PC-0QWMA4)
Chemical Name	1,3-DI-BOC-2-(TRIFLUOROMETHYLSULFONYL)GUANIDINE
IUPAC Name	tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate
InChI	InChI=1S/C12H20F3N3O6S/c1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15/h1-6H3,(H2,16,17,18,19,20)
InChI Key	GOQZIPJCBUYLIR-UHFFFAOYSA-N
MDL Number	MFCD02683528
Molecular Formula	C12H20F3N3O6S
Molecular Weight	391.3639
SMILES	O=S(N/C(NC(OC(C)(C)C)=O)=NC(OC(C)(C)C)=O)(C(F)(F)F)=O
Synonyms	1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine, 207857-15-6, Goodman's Reagent, tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate, AK117156, N,N'-DI-BOC-N''-TRIFLYLGUANIDINE, 1,3-Bis(tert-butoxycarbonyl)-2-(trifluoromethylsulfonyl)guanidine, 1,3-Bis(tert-butoxycarbonyl)-2-(trifluoromethanesulfonyl)guanidine, tert-butyl N-({[(tert-butoxy)carbonyl]amino}(trifluoromethanesulfonylimino)methyl)carbamate, 1,3-Di-BOC-2-(trifluoromethylsulfonyl)guanidine, 98%, ACMC-209feb, AC1MW6E8, SCHEMBL446590, C12H20F3N3O6S, SCHEMBL14821790, CTK4E5118, KS-00000LYP, DTXSID30395153, GOQZIPJCBUYLIR-UHFFFAOYSA-N, BCP08347, ZINC6145892, ZX-AP010475, ANW-24225, MFCD02683528, N,N'-Di-boc-N''-triflyl guanidine, PC8913, SBB056431, AKOS015901900, ACN-048427, CS-W004839, DS-4831, AC-25320, AJ-55914, AM803491, SC-82435, AB0063570, AX8053944, BB0263174, DB-066325, RT-017976, 4CH-024703, B3625, BB 0263174, FT-0697044, ST24036765, V4262, 1,3-diboc-2-(trifluoromethylsulfonyl)guanidine, B-7794, 1,3-diBoc-2-(trifluoromethanesulfonyl)guanidine, 1,3-Di-Boc-2-(trifluoromethanesulfonyl)guanidine, 1,3-di-Boc-2-(trifluoromethylsulfonyl)-guanidine, N,N'-Bis(tert-butoxycarboyl)-N''-trifylguanidine, N,N'-di-Boc-N''-trifluoromethanesulfonylguanidine, J-013627, N,N'-bis(tert-butoxycarbonyl)-N''-triflylguanidine, 1,?3-?Bis(tert-?butoxycarbonyl)?-?2-?(trifluoromet, I14-14599, 1,3-bis(tert-butoxycarbonyl)-2-trifluoromethanesulfonylguanidine, 1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine, >=95.0% (HPLC), di-tert-butyl ({[(trifluoromethyl)sulfonyl]imino}-methylene)biscarbamate, di-tert-butyl ({[(trifluoromethyl)sulfonyl]imino}methylene)-biscarbamate, di-tert-butyl ({[(trifluoromethyl)sulfonyl]imino}methylene)biscarbamate, N,N'-di(tertbutyloxycarbonyl)-N''-(trifluoromethylsulphonyl)guanidine, tert-Butyl [(tert-Butoxycarbonyl)amino]{[(trifluoromethyl)-sulfonyl]imino}methylcarbamate, tert-Butyl {N-(tert-butoxycarbonyl)-N'-[(trifluoromethyl)sulphonyl]carbamimidoyl}carbamate, tert-butyl N-{[(tert-butoxycarbonyl)amino](trifluoromethanesulfonylimino)methyl}carbamate, (tert-butoxy)-N-{1-[(tert-butoxy)carbonylamino]-2-[(trifluoromethyl)sulfonyl]- 2-azavinyl}carboxamide, Carbamicacid, N,N'-[[(trifluoromethyl)sulfonyl]carbonimidoyl]bis-,C,C'-bis(1,1-dimethylethyl) ester, tert-butyl[[(tert-butoxycarbonyl)amino]{[(trifluoromethyl)sulfonyl]amino}methylidene]carbamate, CB10620, CID3694570, CID 3694570, 1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine, 95% - 1G 1g, DIMETHYLETHOXYCARBONYL)-N''-(TRIFLUOROMETHYLSULFONYL)GUANIDINE,

Complexity	607
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	391.102g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	391.362g/mol
Monoisotopic Mass	391.102g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number