| CAS Number | 6338-47-2 |
| Catalog Number | AG00IB7B(AGN-PC-0JODD3) |
| Chemical Name | Ethyl 2-(4-methylimidazol-1-yl)acetate |
| IUPAC Name | ethyl 2-(4-methylimidazol-1-yl)acetate |
| InChI | InChI=1S/C8H12N2O2/c1-3-12-8(11)5-10-4-7(2)9-6-10/h4,6H,3,5H2,1-2H3 |
| InChI Key | PDRSVDAPBJIQNT-UHFFFAOYSA-N |
| MDL Number | MFCD21336474 |
| Molecular Formula | C8H11N2O2 |
| Molecular Weight | 167.1851 |
| NSC Number | 40747 |
| SMILES | CCOC(=O)Cn1cnc(c1)C |
| Synonyms | ethyl 2-(4-methylimidazol-1-yl)acetate,
6338-47-2,
MLS002608271,
NSC40747,
AC1L5YKQ,
AC1Q659Y,
SCHEMBL3711683,
CHEMBL1894091,
PDRSVDAPBJIQNT-UHFFFAOYSA-N,
HMS3092F11,
ethyl 4-methylimidazol-1-ylacetate,
ZINC1672242,
NSC-40747,
SMR001527022,
(4-Methyl-1H-imidazol-1-yl)acetic acid ethyl ester,
AR-1J0276,
CID237336,
ethyl(4-methyl-1h-imidazol-1-yl)acetate,
ethyl 2-(4-methyl-1H-imidazol-1-yl)acetate,
7195-63-3,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number