| CAS Number | 1279818-06-2 |
| Catalog Number | AG01AN1B |
| Chemical Name | TERT-BUTYL N-[(1H-IMIDAZOL-4-YL)METHYL]CARBAMATE |
| IUPAC Name | tert-butyl N-(1H-imidazol-5-ylmethyl)carbamate |
| InChI | InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-5-7-4-10-6-12-7/h4,6H,5H2,1-3H3,(H,10,12)(H,11,13) |
| InChI Key | LPSSRLZXGGVUQS-UHFFFAOYSA-N |
| MDL Number | MFCD21284915 |
| Molecular Formula | C9H15N3O2 |
| Molecular Weight | 197.2343 |
| SMILES | N1C=NC(=C1)CNC(OC(C)(C)C)=O |
| Synonyms | tert-butyl N-[(1H-imidazol-4-yl)methyl]carbamate,
1279818-06-2,
ZINC78218831,
AKOS015018475,
tert-butyl N-(1H-imidazol-4-ylmethyl)carbamate,
Z2418194230,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.238g/mol |
| Monoisotopic Mass | 197.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number