BB 29
2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-dimethylazanium chloride
| Molecular Formula | C21H30ClN3O3 |
|---|---|
| Molecular Weight | 407.9 g/mol |
| Topological Polar Surface Area | 62.1 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.19757 |
| Heavy Atoms | 28 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 78109-65-6 |
|---|---|
| SMILES | CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+](C)C)CC=C.[Cl-] |
| InChIKey | ANQNNBDIHLKZCC-UHFFFAOYSA-N |
📖 Product Overview
BB 29 (CAS: 78109-65-6) is a chemical compound with molecular formula C21H30ClN3O3 and molecular weight 407.9 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-dimethylazanium chloride.
ANQNNBDIHLKZCC-UHFFFAOYSA-N.
SMILES: CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+](C)C)CC=C.[Cl-].
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