| CAS Number | 1503-42-0 |
| Catalog Number | AG00HXSB(AGN-PC-0NKI7Y) |
| Chemical Name | Pyrazinecarboxylic acid, 3-amino-6-phenyl-, methyl ester |
| IUPAC Name | methyl 3-amino-6-phenylpyrazine-2-carboxylate |
| InChI | InChI=1S/C12H11N3O2/c1-17-12(16)10-11(13)14-7-9(15-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14) |
| InChI Key | RVVQRVZLKXYWAR-UHFFFAOYSA-N |
| MDL Number | MFCD11045614 |
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.2346 |
| SMILES | NC=1C(=NC(=CN1)C1=CC=CC=C1)C(=O)OC |
| Synonyms | methyl 3-amino-6-phenylpyrazine-2-carboxylate,
1503-42-0,
SCHEMBL3462566,
RVVQRVZLKXYWAR-UHFFFAOYSA-N,
2-Pyrazinecarboxylic acid, 3-amino-6-phenyl-, methyl ester,
MFCD11045614,
ZINC82295907,
CS-W020491,
AS-48328,
FT-0760380,
methyl 3-amino-6-phenyl-2-pyrazinecarboxylate,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.239g/mol |
| Monoisotopic Mass | 229.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number