Preparation II
2-[2-(diethylamino)ethyl]-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione;phosphoric acid
Also Known As: Preparation II|Spiro(isoquinoline-4(1H),4'-(4H)pyran)-1,3(2H)-dione, 2',3',5',6'-tetrahydro-2-(2-(diethylamino)ethyl)-2',6'-dimethyl-, phosphate (1:1)|2-(2-diethylaminoethyl)-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione; phosphoric acid|Phosphoric acid--2-[2-(diethylamino)ethyl]-2',6'-dimethyl-1H-spiro[isoquinoline-4,4'-oxane]-1,3(2H)-dione (1/1)
CAS: 13613-88-2
| Molecular Formula | C21H33N2O7P |
|---|---|
| Molecular Weight | 456.20255 g/mol |
| LogP | 1.9074 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.20255 |
| Monoisotopic Mass | 456.20255 |
| Heavy Atoms | 31 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 13613-88-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2=CC=CC=C2C3(C1=O)CC(OC(C3)C)C.OP(=O)(O)O |
| InChIKey | OFQCQIGMURIECL-UHFFFAOYSA-N |
Product Overview
Preparation II (CAS 13613-88-2), with molecular formula C21H33N2O7P and molecular weight 456.20255 g/mol. IUPAC: 2-[2-(diethylamino)ethyl]-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione;phosphoric acid.
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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