| CAS Number | 86917-74-0 |
| Catalog Number | AG004PBF(AGN-PC-0MVCKS) |
| Chemical Name | 2,2'-(3-Ethylpyrazine-2,5-diyl)diethanol |
| IUPAC Name | 2-[6-ethyl-5-(2-hydroxyethyl)pyrazin-2-yl]ethanol |
| InChI | InChI=1S/C10H16N2O2/c1-2-9-10(4-6-14)11-7-8(12-9)3-5-13/h7,13-14H,2-6H2,1H3 |
| InChI Key | GFRYXKSZINFSSE-UHFFFAOYSA-N |
| MDL Number | MFCD10688646 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | CCc1nc(CCO)cnc1CCO |
| Synonyms | 2,5-Pyrazinediethanol, 3-ethyl-,
86917-74-0,
3-Ethyl-2,5-pyrazinediethanol,
SCHEMBL6887853,
CTK2I3035,
DTXSID40432528,
ZINC34017039,
AKOS006302236,
3-Ethyl-2,5-bis(2-hydroxyethyl)pyrazine,
FT-0668382,
2-[6-ethyl-5-(2-hydroxyethyl)pyrazin-2-yl]ethan-1-ol,
Clavulanic Acid EP Impurity C,
CID9899098,
CS-O-14321,
2-[3-ethyl-5-(2-hydroxyethyl)pyrazin-2-yl]ethanol,
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| Complexity | 155 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number