| CAS Number | 51721-21-2 |
| Catalog Number | AG00E213(AGN-PC-034NPD) |
| Chemical Name | ethyl 4-tert-butyl-1H-iMidazole -5-carboxylate |
| IUPAC Name | ethyl 5-tert-butyl-1H-imidazole-4-carboxylate |
| InChI | InChI=1S/C10H16N2O2/c1-5-14-9(13)7-8(10(2,3)4)12-6-11-7/h6H,5H2,1-4H3,(H,11,12) |
| InChI Key | ZWLWFCKNFSOIEA-UHFFFAOYSA-N |
| MDL Number | MFCD23697504 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | C(C)(C)(C)C1=C(N=CN1)C(=O)OCC |
| Synonyms | 51721-21-2,
ethyl 5-tert-butyl-1H-imidazole-4-carboxylate,
ethyl 5-(tert-butyl)-1H-imidazole-4-carboxylate,
ethyl 4-tert-butyl-1H-imidazole -5-carboxylate,
ethyl 5-(tert-butyl)imidazole-4-carboxylate,
SCHEMBL65812,
KS-000029SK,
MFCD23697504,
ZINC91294540,
AKOS016028542,
AKOS032961429,
ACN-053829,
NG-0715,
ethyl 5-(t-butyl)-1h-imidazole-4-carboxylate,
ethyl 4-(tert-butyl)-1H-imidazole-5-carboxylate,
5-(1,1-Dimethylethyl)-1H-imidazole-4-carboxylic acid ethyl ester,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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