| CAS Number | 2177264-11-6 |
| Catalog Number | AG01DTVQ(AGN-PC-3H45CK) |
| Chemical Name | tert-Butyl 1-benzyl-3-iodo-1,8-diazaspiro[4.5]decane-8-carboxylate |
| IUPAC Name | tert-butyl 1-benzyl-3-iodo-1,8-diazaspiro[4.5]decane-8-carboxylate |
| InChI | InChI=1S/C20H29IN2O2/c1-19(2,3)25-18(24)22-11-9-20(10-12-22)13-17(21)15-23(20)14-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3 |
| InChI Key | OFGOHCZHVVIBJM-UHFFFAOYSA-N |
| MDL Number | MFCD28390464 |
| Molecular Formula | C20H29IN2O2 |
| Molecular Weight | 456.3609 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)CC(CN2Cc3ccccc3)I |
| Synonyms | Tert-Butyl 1-Benzyl-3-Iodo-1,8-Diazaspiro[4.5]Decane-8-Carboxylate,
2177264-11-6,
CS-0039905,
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| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 456.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 456.368g/mol |
| Monoisotopic Mass | 456.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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