AG003HXR

36947-69-0 | 2-tert-Butyl-1H-imidazole

AG003HXR

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CAS Number	36947-69-0
Catalog Number	AG003HXR(AGN-PC-0JRYEM)
Chemical Name	2-tert-Butyl-1H-imidazole
IUPAC Name	2-tert-butyl-1H-imidazole
InChI	InChI=1S/C7H12N2/c1-7(2,3)6-8-4-5-9-6/h4-5H,1-3H3,(H,8,9)
InChI Key	CTUNHIMNHSKDBN-UHFFFAOYSA-N
MDL Number	MFCD16618480
Molecular Formula	C7H12N2
Molecular Weight	124.1836
SMILES	CC(C1=NC=CN1)(C)C
Synonyms	36947-69-0, 2-tert-butyl-1H-imidazole, 2-(tert-Butyl)-1H-imidazole, 1H-Imidazole, 2-(1,1-dimethylethyl)-, 2-TERT-BUTYLIMIDAZOLE, 2-t-butylimidazole, AC1LAYTN, SCHEMBL67017, 2-(tert-Butyl);-1H-imidazole, CTK1A9797, DTXSID40333309, CTUNHIMNHSKDBN-UHFFFAOYSA-N, ALBB-014339, 1783AE, MFCD16618480, ZINC13220227, AKOS005174333, MCULE-5084613064, PB30136, TRA0109828, KS-000004V1, AK-93993, DS-17895, SY014880, AB0053107, TX-016526, BB 0259445, CS-0052549, 2-(1,1-DIMETHYLETHYL)-1H-IMIDAZOLE, C-8483, MFCD16618480 (95+%), C7H12N2, CID498442, CID 498442, 1H-Imidazole,2-(1,1-dimethylethyl)-, 2-tert-Butyl-1H-imidazole, 98% - 1G 1g,

Complexity	93.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.1g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	124.187g/mol
Monoisotopic Mass	124.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number