| CAS Number | 1160472-66-1 |
| Catalog Number | AG00JB32(AGN-PC-069KAQ) |
| Chemical Name | ethyl 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxylate |
| IUPAC Name | ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate |
| InChI | InChI=1S/C11H12N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-4-3-5-13-6-8/h3-7H,2,12H2,1H3 |
| InChI Key | RJRFOAJQFLWZII-UHFFFAOYSA-N |
| MDL Number | MFCD11983397 |
| Molecular Formula | C11H12N4O2 |
| Molecular Weight | 232.2386 |
| SMILES | CCOC(C1=C(N)N(C2=CN=CC=C2)C=N1)=O |
| Synonyms | ethyl 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxylate,
1160472-66-1,
ethyl 5-amino-1-(3-pyridyl)imidazole-4-carboxylate,
RJRFOAJQFLWZII-UHFFFAOYSA-N,
SBB027150,
STK695667,
ZINC34929266,
AKOS005606878,
MCULE-7033797516,
NE15369,
ST4148370,
ethyl 5-amino-1-(3-pyridyl)-1H-imidazole-4-carboxylate,
Ethyl 5-amino-1-(pyridin-3-yl)imidazole-4-carboxylate,
Z1868316885,
Ethyl 5-amino-1-(3-pyridinyl)-1H-imidazole-4-carboxylate,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.243g/mol |
| Monoisotopic Mass | 232.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number