| CAS Number | 80827-62-9 |
| Catalog Number | AG005IOW(AGN-PC-004EHD) |
| Chemical Name | 8-Azaspiro[4.5]decane-7,9-dione, 8-(4-bromobutyl)- |
| IUPAC Name | 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione |
| InChI | InChI=1S/C13H20BrNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2 |
| InChI Key | QQCVFKSWYYHXMA-UHFFFAOYSA-N |
| MDL Number | MFCD18379225 |
| Molecular Formula | C13H20BrNO2 |
| Molecular Weight | 302.2074 |
| SMILES | BrCCCCN1C(=O)CC2(CC1=O)CCCC2 |
| Synonyms | 8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione,
80827-62-9,
8-Azaspiro[4.5]decane-7,9-dione, 8-(4-bromobutyl)-,
SCHEMBL7304949,
CTK3E5081,
DTXSID80458868,
QQCVFKSWYYHXMA-UHFFFAOYSA-N,
ZINC34397383,
AKOS030255475,
FT-0663660,
8-(4-Bromobutyl)-8-azaspiro[4.5]-decane-7,9-dione,
8-(4-bromobutyl)-8-azaspiro[4.5]decane-7.9-dione,
CID11208851,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.212g/mol |
| Monoisotopic Mass | 301.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number