| CAS Number | 2177263-91-9 |
| Catalog Number | AG01DTV0(AGN-PC-3H45CG) |
| Chemical Name | Tert-Butyl 2-Benzyl-4-(Hydroxymethyl)-2,8-Diazaspiro[4.5]Decane-8-Carboxylate |
| IUPAC Name | tert-butyl 2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate |
| InChI | InChI=1S/C21H32N2O3/c1-20(2,3)26-19(25)23-11-9-21(10-12-23)16-22(14-18(21)15-24)13-17-7-5-4-6-8-17/h4-8,18,24H,9-16H2,1-3H3 |
| InChI Key | KJHMNIXGSDVOAX-UHFFFAOYSA-N |
| MDL Number | MFCD28390320 |
| Molecular Formula | C21H32N2O3 |
| Molecular Weight | 360.4904 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccccc3)CC2CO)CC1 |
| Synonyms | Tert-Butyl 2-Benzyl-4-(Hydroxymethyl)-2,8-Diazaspiro[4.5]Decane-8-Carboxylate,
2177263-91-9,
CS-0039851,
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| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.241g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.498g/mol |
| Monoisotopic Mass | 360.241g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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