1,3-Di-tert-butylimidazol-2-ylidene

Catalog Number	ACM157197530-2
CAS	157197-53-0
Structure
Synonyms	1,3-Di-tert-butyl-1H-imidazol-3-ium-2-ide
IUPAC Name	1,3-ditert-butyl-2H-imidazol-1-ium-2-ide
Molecular Weight	180.29
Molecular Formula	C11H20N2
Canonical SMILES	CC(C)(C)N1C=C[N+](=[C-]1)C(C)(C)C;
InChI	FENRCIKTFREPGS-UHFFFAOYSA-N
InChI Key	InChI=1S/C11H20N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,1-6H3
Melting Point	71-72 °C
Purity	98%+
Appearance	White crystal
Storage	Refrigerator
Complexity	222
Covalently-Bonded Unit Count	1
Exact Mass	180.163g/mol
Heavy Atom Count	13
Isomeric SMILES	CC(C)(C)N1C=C[N+](=[C-]1)C(C)(C)C
Monoisotopic Mass	180.163g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	6.2A^2