| CAS Number | 1864014-56-1 |
| Catalog Number | AG019ZRZ |
| Chemical Name | tert-Butyl (1-phenyl-1H-imidazol-5-yl)carbamate |
| IUPAC Name | tert-butyl N-(3-phenylimidazol-4-yl)carbamate |
| InChI | InChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)16-12-9-15-10-17(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,18) |
| InChI Key | IDSFPQBRGFSBLE-UHFFFAOYSA-N |
| MDL Number | MFCD29033723 |
| Molecular Formula | C14H17N3O2 |
| Molecular Weight | 259.3037 |
| SMILES | O=C(OC(C)(C)C)NC1=CN=CN1C2=CC=CC=C2 |
| Synonyms | tert-butyl N-(1-phenyl-1H-imidazol-5-yl)carbamate,
1864014-56-1,
AKOS033816239,
ZINC238853050,
Z2235409279,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.309g/mol |
| Monoisotopic Mass | 259.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number