| CAS Number | 65735-15-1 |
| Catalog Number | AG00FA18(AGN-PC-0LQ21B) |
| Chemical Name | 2-CYANO-3-METHYLPYRAZINE |
| IUPAC Name | 3-methylpyrazine-2-carbonitrile |
| InChI | InChI=1S/C6H5N3/c1-5-6(4-7)9-3-2-8-5/h2-3H,1H3 |
| InChI Key | JWZKFUUHTLGIEA-UHFFFAOYSA-N |
| MDL Number | MFCD08705771 |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.1240 |
| SMILES | CC1=C(C#N)N=CC=N1 |
| Synonyms | 3-methylpyrazine-2-carbonitrile,
65735-15-1,
2-CYANO-3-METHYLPYRAZINE,
AC1NRYYT,
SCHEMBL4075559,
Pyrazinecarbonitrile, 3-methyl-,
CTK1I1947,
DTXSID30416039,
2-Pyrazinecarbonitrile, 3-methyl-,
ZINC33836214,
AKOS006290278,
3-METHYL-2-PYRAZINECARBONITRILE,
AB48635,
AJ-86379,
FT-0704228,
InChI=1/C6H5N3/c1-5-6(4-7)9-3-2-8-5/h2-3H,1H,
ACN-028414,
CID5325704,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.127g/mol |
| Monoisotopic Mass | 119.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number