| CAS Number | 2177258-86-3 |
| Catalog Number | AG01DTX1(AGN-PC-3H45D3) |
| Chemical Name | 8-tert-Butyl3-ethyl2,8-diazaspiro[4.5]decane-3,8-dicarboxylate mesylate |
| IUPAC Name | 8-O-tert-butyl 3-O-ethyl 2,8-diazaspiro[4.5]decane-3,8-dicarboxylate;methanesulfonic acid |
| InChI | InChI=1S/C16H28N2O4.CH4O3S/c1-5-21-13(19)12-10-16(11-17-12)6-8-18(9-7-16)14(20)22-15(2,3)4;1-5(2,3)4/h12,17H,5-11H2,1-4H3;1H3,(H,2,3,4) |
| InChI Key | WGIAXEKADWJNNX-UHFFFAOYSA-N |
| MDL Number | MFCD28992034 |
| Molecular Formula | C17H32N2O7S |
| Molecular Weight | 408.5102 |
| SMILES | CCOC(C1CC2(CN1)CCN(C(OC(C)(C)C)=O)CC2)=O.CS(=O)(O)=O |
| Synonyms | 8-Tert-Butyl3-Ethyl2,8-Diazaspiro[4.5]Decane-3,8-Dicarboxylate Mesylate,
2177258-86-3,
CS-0039990,
8-tert-Butyl 3-ethyl 2,8-diazaspiro[4.5]decane-3,8-dicarboxylate methanesulfonate,
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| Complexity | 515 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.51g/mol |
| Monoisotopic Mass | 408.193g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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