| CAS Number | 18620-64-9 |
| Catalog Number | AG00ASS5(AGN-PC-0NJHG2) |
| Chemical Name | 5-Chloropyrimidine-2,4-diamine |
| IUPAC Name | 5-chloropyrimidine-2,4-diamine |
| InChI | InChI=1S/C4H5ClN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9) |
| InChI Key | ZXPMVKXDIBNUKN-UHFFFAOYSA-N |
| MDL Number | MFCD09907877 |
| Molecular Formula | C4H5ClN4 |
| Molecular Weight | 144.5623 |
| SMILES | NC1=NC(N)=C(Cl)C=N1 |
| Synonyms | 5-chloropyrimidine-2,4-diamine,
18620-64-9,
2,4-Pyrimidinediamine, 5-chloro- (9CI),
SCHEMBL3421681,
2,4-diamino-5-chloropyrimidine,
CTK8H3776,
5-chloro-pyrimidine-2,4-diamine,
ZINC35932492,
AKOS006312737,
KS-0000245J,
CS-4090,
|
| Complexity | 98.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.562g/mol |
| Monoisotopic Mass | 144.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number