| CAS Number | 21098-11-3 |
| Catalog Number | AG00C2VP(AGN-PC-00N3VD) |
| Chemical Name | 8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione |
| EC Number | 606-705-5 |
| IUPAC Name | 8-(4-chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione |
| InChI | InChI=1S/C13H20ClNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2 |
| InChI Key | BCNBRBQCDHLCBD-UHFFFAOYSA-N |
| MDL Number | MFCD27967171 |
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.7564 |
| SMILES | ClCCCCN1C(=O)CC2(CCCC2)CC1=O |
| Synonyms | 8-(4-CHLOROBUTYL)-8-AZASPIRO[4.5]DECANE-7,9-DIONE,
21098-11-3,
SCHEMBL7410588,
ZINC34091288,
8-(4-Chlorobutyl)-8-azaspiro[4.5]-decane-7,9-dione,
8-Azaspiro[4.5]decane-7,9-dione, 8-(4-chlorobutyl)-,
8-(4-Chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione, AldrichCPR,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.758g/mol |
| Monoisotopic Mass | 257.118g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number