| CAS Number | 221295-05-2 |
| Catalog Number | AG00BJ4T(AGN-PC-07ADQ0) |
| Chemical Name | Pyrazinecarbonitrile, 5-(dimethylamino)- (9CI) |
| IUPAC Name | 5-(dimethylamino)pyrazine-2-carbonitrile |
| InChI | InChI=1S/C7H8N4/c1-11(2)7-5-9-6(3-8)4-10-7/h4-5H,1-2H3 |
| InChI Key | SOOIJJUGROUJPT-UHFFFAOYSA-N |
| MDL Number | MFCD20283983 |
| Molecular Formula | C7H8N4 |
| Molecular Weight | 148.1652 |
| SMILES | CN(C=1N=CC(=NC1)C#N)C |
| Synonyms | 5-(dimethylamino)pyrazine-2-carbonitrile,
221295-05-2,
Pyrazinecarbonitrile, 5-(dimethylamino)- (9CI),
CTK8H6528,
ZINC39079880,
AKOS013611917,
NE49180,
5-(Dimethylamino)-2-pyrazinecarbonitrile,
Z1901071385,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.169g/mol |
| Monoisotopic Mass | 148.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number