CAS 45676-04-8 | 1-tert-Butyl-1H-imidazole | CAS Number 45676-04-8

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Imidazoles > 45676-04-8

45676-04-8 | 1-tert-Butyl-1H-imidazole

CAS No: 45676-04-8 Catalog No: AG00DJNJ MDL No:MFCD19441219

Product Description

Catalog Number:

AG00DJNJ

Chemical Name:

1-tert-Butyl-1H-imidazole

CAS Number:

45676-04-8

Molecular Formula:

C7H12N2

Molecular Weight:

124.1836

MDL Number:

MFCD19441219

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

SMILES:

CC(n1cncc1)(C)C

Properties

Complexity:

93.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

124.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

124.187g/mol

Monoisotopic Mass:

124.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Synthesis, structure, and reactions of 1-tert-butyl-2-diphenylphosphino-imidazole.	Inorganic chemistry 20110207
Reversible substrate binding at copper centers in neutral copper(I) carbene complexes derived from bis(3-tert-butylimidazole-2-ylidene)methane.	Dalton transactions (Cambridge, England : 2003) 20090227
A new synthetic route to bulky 'second generation' tris(imidazol-2-ylidene)borate ligands: synthesis of a four coordinate iron(II) complex.	Chemical communications (Cambridge, England) 20050814