| CAS Number | 24646-40-0 |
| Catalog Number | AG00BEBQ |
| Chemical Name | 3,4-Methylenedioxy PV9 (hydrochloride) |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yloctan-1-one;hydrochloride |
| InChI | InChI=1S/C19H27NO3.ClH/c1-2-3-4-5-8-16(20-11-6-7-12-20)19(21)15-9-10-17-18(13-15)23-14-22-17;/h9-10,13,16H,2-8,11-12,14H2,1H3;1H |
| InChI Key | PYKXCYXCXKRYNZ-UHFFFAOYSA-N |
| MDL Number | MFCD03990581 |
| Molecular Formula | C19H28ClNO3 |
| Molecular Weight | 353.8835 |
| SMILES | O=C(C(N1CCCC1)CCCCCC)C2=CC(OCO3)=C3C=C2.Cl |
| Synonyms | 3,4-Methylenedioxy PV9 (hydrochloride),
24646-40-0,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.887g/mol |
| Monoisotopic Mass | 353.176g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number