| CAS Number | 1150633-16-1 |
| Catalog Number | AG000FUW(AGN-PC-0WB60P) |
| Chemical Name | 5-Pyrimidinecarbonitrile, 4-methyl- |
| IUPAC Name | 4-methylpyrimidine-5-carbonitrile |
| InChI | InChI=1S/C6H5N3/c1-5-6(2-7)3-8-4-9-5/h3-4H,1H3 |
| InChI Key | UXXDANNCYCRMDU-UHFFFAOYSA-N |
| MDL Number | MFCD19982748 |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.1240 |
| SMILES | N#CC1=CN=CN=C1C |
| Synonyms | 4-Methylpyrimidine-5-carbonitrile,
1150633-16-1,
4-methyl-5-pyrimidinecarbonitrile,
5-Pyrimidinecarbonitrile, 4-methyl-,
4-Methyl-5-cyano-pyrimidine,
SCHEMBL8154592,
DTXSID30595853,
4-Methyl-pyrimidine-5-carbonitrile,
2884AJ,
MFCD19982748,
ZINC67425300,
AKOS022172323,
QC-8787,
AB0097538,
AJ-116980,
4-Methyl-5-pyrimidinecarbonitrile, AldrichCPR,
Y-8139,
Z2350907397,
C6H5N3,
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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 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number