| CAS Number | 823796-56-1 |
| Catalog Number | AG00GN2L(AGN-PC-026CH9) |
| Chemical Name | 2-Chloro-N4,N4-dimethylpyrimidine-4,5-diamine |
| IUPAC Name | 2-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine |
| InChI | InChI=1S/C6H9ClN4/c1-11(2)5-4(8)3-9-6(7)10-5/h3H,8H2,1-2H3 |
| InChI Key | FJYXMCFAKOVVCH-UHFFFAOYSA-N |
| MDL Number | MFCD07440168 |
| Molecular Formula | C6H9ClN4 |
| Molecular Weight | 172.6155 |
| SMILES | CN(C1=C(N)C=NC(Cl)=N1)C |
| Synonyms | 2-CHLORO-N4,N4-DIMETHYLPYRIMIDINE-4,5-DIAMINE,
823796-56-1,
SCHEMBL3068435,
AKOS002666332,
AB42027,
4,5-Pyrimidinediamine, 2-chloro-N4,N4-dimethyl-,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.616g/mol |
| Monoisotopic Mass | 172.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number