AG003DL7

157197-53-0 | 1,3-Di-t-butylimidazol-2-ylidene

AG003DL7

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CAS Number	157197-53-0
Catalog Number	AG003DL7(AGN-PC-0NDK09)
Chemical Name	1,3-Di-t-butylimidazol-2-ylidene
IUPAC Name	1,3-ditert-butyl-2H-imidazol-1-ium-2-ide
InChI	InChI=1S/C11H20N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,1-6H3
InChI Key	FENRCIKTFREPGS-UHFFFAOYSA-N
MDL Number	MFCD03788921
Molecular Formula	C11H20N2
Molecular Weight	180.2899
SMILES	CC([N+]1=[C-]N(C(C)(C)C)C=C1)(C)C
Synonyms	157197-53-0, 1,3-Di-tert-butylimidazol-2-ylidene, 1,3-Di-tert-butyl-1H-imidazol-3-ium-2-ide, ItBu, 1,3-DI-T-BUTYLIMIDAZOL-2-YLIDENE, CTK8B3030, DTXSID20449891, KS-000017JG, 7873AA, ANW-41647, MFCD03788921, RTR-006600, SC11706, AX8244485, TR-006600, 1,3-ditert-butyl-2H-imidazol-1-ium-2-ide, D3472, I14-105525, 1,3-DI-TERT-BUTYL-1,3-DIHYDRO-2H-IMIDAZOL-2-YLIDENE, C11H20N2, CID10961644, CID 10961644,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.163g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.295g/mol
Monoisotopic Mass	180.163g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	6.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number