| CAS Number | 1431960-90-5 |
| Catalog Number | AG01DK9T |
| Chemical Name | N1-(4-chloropyrimidin-2-yl)propane-1,3-diamine hydrochloride |
| IUPAC Name | N'-(4-chloropyrimidin-2-yl)propane-1,3-diamine;hydrochloride |
| InChI | InChI=1S/C7H11ClN4.ClH/c8-6-2-5-11-7(12-6)10-4-1-3-9;/h2,5H,1,3-4,9H2,(H,10,11,12);1H |
| InChI Key | FLXCQCDEUMUCBT-UHFFFAOYSA-N |
| MDL Number | MFCD31801834 |
| Molecular Formula | C7H12Cl2N4 |
| Molecular Weight | 223.103 |
| SMILES | Cl.NCCCNc1nccc(Cl)n1 |
| Synonyms | N1-(4-chloropyrimidin-2-yl)propane-1,3-diamine hydrochloride,
1431960-90-5,
AS-71088,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.043902g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.1g/mol |
| Monoisotopic Mass | 222.043902g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number