C18H26ClN7.2ClH
1-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethylamino]-6-methylpyrimidin-2-yl]guanidine;dihydrochloride
Also Known As: Guanidine, 1-(p-chlorophenyl)-3-[4-[[2-(diethylamino)ethyl]amino]-6-methyl-2-pyrimidinyl]-, dihydrochloride|Pyrimidine, 2-(3-(p-chlorophenyl)guanidino)-4-(2-(diethylamino)ethylamino)-6-methyl-, dihydrochloride
CAS: 5437-20-7
| Molecular Formula | C18H28Cl3N7 |
|---|---|
| Molecular Weight | 447.1472 g/mol |
| LogP | 4.09402 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.1472 |
| Monoisotopic Mass | 447.1472 |
| Heavy Atoms | 28 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 5437-20-7 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC(=NC(=C1)C)N=C(N)NC2=CC=C(C=C2)Cl.Cl.Cl |
| InChIKey | VFDYVRAZHALLGT-UHFFFAOYSA-N |
Product Overview
C18H26ClN7.2ClH (CAS 5437-20-7), with molecular formula C18H28Cl3N7 and molecular weight 447.1472 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethylamino]-6-methylpyrimidin-2-yl]guanidine;dihydrochloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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