| CAS Number | 328233-04-1 |
| Catalog Number | AG01DMB3(AGN-PC-0R86MN) |
| Chemical Name | Spiro[isoindoline-1,4'-piperidin]-3-one hydrochloride |
| IUPAC Name | spiro[2H-isoindole-3,4'-piperidine]-1-one;hydrochloride |
| InChI | InChI=1S/C12H14N2O.ClH/c15-11-9-3-1-2-4-10(9)12(14-11)5-7-13-8-6-12;/h1-4,13H,5-8H2,(H,14,15);1H |
| InChI Key | JAVKXQWDXHWUTO-UHFFFAOYSA-N |
| MDL Number | MFCD18711590 |
| Molecular Formula | C12H15ClN2O |
| Molecular Weight | 238.7133 |
| SMILES | Cl.O=C1NC2(CCNCC2)C2=C1C=CC=C2 |
| Synonyms | Spiro[isoindoline-1,4'-piperidin]-3-one hydrochloride,
788812-21-5,
SPIRO[ISOINDOLINE-1,4'-PIPERIDIN]-3-ONE HCL,
328233-04-1,
SCHEMBL6819759,
JAVKXQWDXHWUTO-UHFFFAOYSA-N,
MFCD18711590,
AS-36043,
OR313019,
AB0074098,
AX8242080,
X-3179,
SPIRO[ISOINDOLINE-1,4-PIPERIDIN]-3-ONE HCL,
spiro[1H-isoindole-1,4'-piperidine]-3(2H)-one hydrochloride,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.715g/mol |
| Monoisotopic Mass | 238.087g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number