AC1L8JDK
2-bromo-N-[4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butyl]acetamide;2,4,6-trinitrophenol
Also Known As: 2-bromo-N-[4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butyl]acetamide; 2,4,6-trinitrophenol|2-bromo-N-[4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]b|2-Bromo-N-{4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butyl}acetamide--2,4,6-trinitrophenol (1/1)
CAS: 20535-93-7
| Molecular Formula | C22H22BrClN8O8 |
|---|---|
| Molecular Weight | 640.0433 g/mol |
| LogP | 3.912 |
| Topological Polar Surface Area | 265.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 640.0433 |
| Monoisotopic Mass | 640.0433 |
| Heavy Atoms | 40 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 20535-93-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CCCCNC(=O)CBr)Cl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RWAULROVTBBTRS-UHFFFAOYSA-N |
Product Overview
AC1L8JDK (CAS 20535-93-7), with molecular formula C22H22BrClN8O8 and molecular weight 640.0433 g/mol. IUPAC: 2-bromo-N-[4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butyl]acetamide;2,4,6-trinitrophenol.
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.
View MSDS →
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