AC1L7EE9
N-[4-[4,6-diamino-1-(4-phenylbutyl)-2H-1,3,5-triazin-2-yl]phenyl]acetamide;2,4,6-trinitrophenol
Also Known As: N-[4-[4,6-diamino-1-(4-phenylbutyl)-2H-1,3,5-triazin-2-yl]phenyl]acetamide; 2,4,6-trinitrophenol|N-[4-[4,6-diamino-1-(4-phenylbutyl)-2H-1,3,5-triazin-2-yl]phenyl]acetamide;2,4,6-trinitrophenol|N-{4-[4,6-Diamino-1-(4-phenylbutyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl}acetamide--2,4,6-trinitrophenol (1/1)
CAS: 1931-07-3
| Molecular Formula | C27H29N9O8 |
|---|---|
| Molecular Weight | 607.2139 g/mol |
| LogP | 3.7283 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 607.2139 |
| Monoisotopic Mass | 607.2139 |
| Heavy Atoms | 44 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 1931-07-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2N=C(N=C(N2CCCCC3=CC=CC=C3)N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LEBATDQWSMXZKB-UHFFFAOYSA-N |
Product Overview
AC1L7EE9 (CAS 1931-07-3), with molecular formula C27H29N9O8 and molecular weight 607.2139 g/mol. IUPAC: N-[4-[4,6-diamino-1-(4-phenylbutyl)-2H-1,3,5-triazin-2-yl]phenyl]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.
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