| CAS Number | 66787-73-3 |
| Catalog Number | AG00FH6R(AGN-PC-0JSNRK) |
| Chemical Name | tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate |
| IUPAC Name | tert-butyl N-(3-methylimidazol-4-yl)carbamate |
| InChI | InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-7-5-10-6-12(7)4/h5-6H,1-4H3,(H,11,13) |
| InChI Key | PEKVFQUSUDBNKI-UHFFFAOYSA-N |
| MDL Number | MFCD23102837 |
| Molecular Formula | C9H15N3O2 |
| Molecular Weight | 197.2343 |
| SMILES | CN1C(NC(OC(C)(C)C)=O)=CN=C1 |
| Synonyms | tert-Butyl (1-methyl-1H-imidazol-5-yl)carbamate,
66787-73-3,
tert-Butyl 1-methyl-1H-imidazol-5-ylcarbamate,
tert-butyl N-(3-methylimidazol-4-yl)carbamate,
AC1LC009,
SCHEMBL18418861,
PEKVFQUSUDBNKI-UHFFFAOYSA-N,
ZINC32194416,
AKOS027254810,
ACN-026682,
FCH1629981,
DS-10414,
AB0072866,
AX8264544,
tert-Butyl 1-methyl-1H-imidazol-5-ylcarbamate #,
5-Aminoimidazolecarboxylic acid, 1-methyl-, t-butyl(ester),
CID545436,
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| Complexity | 213 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.238g/mol |
| Monoisotopic Mass | 197.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number