| CAS Number | 203664-05-5 |
| Catalog Number | AG00BFR6 |
| Chemical Name | Tert-Butyl ((1H-Imidazol-2-Yl)Methyl)Carbamate |
| IUPAC Name | tert-butyl N-(1H-imidazol-2-ylmethyl)carbamate |
| InChI | InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)12-6-7-10-4-5-11-7/h4-5H,6H2,1-3H3,(H,10,11)(H,12,13) |
| InChI Key | CEUVRSCDAWCEGC-UHFFFAOYSA-N |
| MDL Number | MFCD18831364 |
| Molecular Formula | C9H15N3O2 |
| Molecular Weight | 197.2343 |
| SMILES | O=C(OC(C)(C)C)NCC1=NC=CN1 |
| Synonyms | 203664-05-5,
tert-Butyl ((1H-imidazol-2-yl)methyl)carbamate,
SCHEMBL3794186,
CEUVRSCDAWCEGC-UHFFFAOYSA-N,
ZINC39091204,
AKOS013569218,
Carbamic acid, (1H-imidazol-2-ylmethyl)-, 1,1-dimethylethyl ester (9CI),
DB-086360,
2-[N-(tert-Butoxycarbonyl)aminomethyl]imidazole,
tert-butyl N-[(1H-imidazol-2-yl)methyl]carbamate,
2-Methyl-2-propanyl (1H-imidazol-2-ylmethyl)carbamate,
Z1530133014,
Carbamicacid, -,1,1-dimethylethylester,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.116427g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.23g/mol |
| Monoisotopic Mass | 197.116427g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number