| CAS Number | 1870018-67-9 |
| Catalog Number | AG01BJ3A |
| Chemical Name | 1-(Pyrazin-2-yl)cyclopentane-1-carbonitrile |
| IUPAC Name | 1-pyrazin-2-ylcyclopentane-1-carbonitrile |
| InChI | InChI=1S/C10H11N3/c11-8-10(3-1-2-4-10)9-7-12-5-6-13-9/h5-7H,1-4H2 |
| InChI Key | LGBASFOENNEZTA-UHFFFAOYSA-N |
| MDL Number | MFCD29928161 |
| Molecular Formula | C10H11N3 |
| Molecular Weight | 173.2144 |
| SMILES | N1=C(C=NC=C1)C1(CCCC1)C#N |
| Synonyms | 1-(pyrazin-2-yl)cyclopentane-1-carbonitrile,
1870018-67-9,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.219g/mol |
| Monoisotopic Mass | 173.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number