| CAS Number | 876310-50-8 |
| Catalog Number | AG01EIPP(AGN-PC-0OL62C) |
| Chemical Name | 2-tert-butyl-4-methyl-1H-imidazole |
| IUPAC Name | 2-tert-butyl-5-methyl-1H-imidazole |
| InChI | InChI=1S/C8H14N2/c1-6-5-9-7(10-6)8(2,3)4/h5H,1-4H3,(H,9,10) |
| InChI Key | CRMWXWGCHIXJTP-UHFFFAOYSA-N |
| MDL Number | MFCD31666713 |
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.2102 |
| SMILES | CC1N=C(C(C)(C)C)NC=1 |
| Synonyms | SCHEMBL3695016,
SCHEMBL12727645,
2-tert-butyl-4-methyl-1H-imidazole,
2-tert-butyl-5-methyl-1H-imidazole,
876310-50-8,
2-(tert-butyl)-5-methyl-1H-imidazole,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.214g/mol |
| Monoisotopic Mass | 138.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number