| CAS Number | 1330766-05-6 |
| Catalog Number | AG00HSSD(AGN-PC-0WG4JP) |
| Chemical Name | Racemic-(4r,5s)-tert-butyl 4-phenyl-2,7-diazaspiro[4.4]nonane-2-carboxylate |
| IUPAC Name | tert-butyl (4R,5S)-4-phenyl-2,7-diazaspiro[4.4]nonane-2-carboxylate |
| InChI | InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-11-15(14-7-5-4-6-8-14)18(13-20)9-10-19-12-18/h4-8,15,19H,9-13H2,1-3H3/t15-,18+/m1/s1 |
| InChI Key | SZRJUSMARDPBID-QAPCUYQASA-N |
| MDL Number | MFCD27997311 |
| Molecular Formula | C18H26N2O2 |
| Molecular Weight | 302.4112 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@]2(CCNC2)C1 |
| Synonyms | Racemic-(4R,5S)-Tert-Butyl 4-Phenyl-2,7-Diazaspiro[4.4]Nonane-2-Carboxylate,
1330766-05-6,
MFCD27997311,
ZINC91303090,
CS-0036665,
Racemic-(4R,5S)-t-butyl 4-phenyl-2,7-diazaspiro[4.4]nonane-2-carboxylate,
tert-Butyl (4R,5S)-4-phenyl-2,7-diazaspiro[4.4]nonane-2-carboxylate,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.418g/mol |
| Monoisotopic Mass | 302.199g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number