AG00DJNJ

45676-04-8 | 1-TERT-BUTYL-1H-IMIDAZOLE

AG00DJNJ

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CAS Number	45676-04-8
Catalog Number	AG00DJNJ(AGN-PC-0D7TDX)
Chemical Name	1-TERT-BUTYL-1H-IMIDAZOLE
IUPAC Name	1-tert-butylimidazole
InChI	InChI=1S/C7H12N2/c1-7(2,3)9-5-4-8-6-9/h4-6H,1-3H3
InChI Key	AMQKPABOPFXDQM-UHFFFAOYSA-N
MDL Number	MFCD19441219
Molecular Formula	C7H12N2
Molecular Weight	124.1836
SMILES	CC(C)(C)N1C=CN=C1
Synonyms	45676-04-8, 1-tert-Butyl-1H-imidazole, 1-(tert-Butyl)-1H-imidazole, 1-t-Butylimidazole, 1-tert-butylimidazole, 1-tertButylimidazole, AC1L3LL3, SCHEMBL179249, CTK4I8917, DTXSID50196588, AMQKPABOPFXDQM-UHFFFAOYSA-N, ZINC5114340, ANW-66209, MFCD19441219, AKOS016004673, FCH1133666, 1H-Imidazole,1-(1,1-dimethylethyl)-, AS-45760, BL004043, AB0038089, AX8236421, TC-154954, Y5438, X-1021, C7H12N2, CID142665, ACN-038225, B4985, 1-tert-butyl-1H-imidazole, 95% - 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	0
Isotope Atom Count	0
Molecular Weight	124.187g/mol
Monoisotopic Mass	124.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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