BB 25
2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-diethyl-methylazanium iodide
| Molecular Formula | C24H36IN3O3 |
|---|---|
| Molecular Weight | 541.5 g/mol |
| Topological Polar Surface Area | 57.7 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 541.1801 |
| Heavy Atoms | 31 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 77967-02-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C(C)C.[I-] |
| InChIKey | PTYJTADUMMXTSW-UHFFFAOYSA-M |
📖 Product Overview
BB 25 (CAS: 77967-02-3) is a chemical compound with molecular formula C24H36IN3O3 and molecular weight 541.5 g/mol. Its IUPAC systematic name is 2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-diethyl-methylazanium iodide.
PTYJTADUMMXTSW-UHFFFAOYSA-M.
SMILES: CC[N+](C)(CC)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C(C)C.[I-].
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