| CAS Number | 2177264-69-4 |
| Catalog Number | AG01FLEQ(AGN-PC-3H4B4H) |
| Chemical Name | tert-butyl 9-benzyl-5-hydroxy-2,9-diazaspiro[5.5]undecane-2-carboxylate |
| IUPAC Name | tert-butyl 9-benzyl-5-hydroxy-2,9-diazaspiro[5.5]undecane-2-carboxylate |
| InChI | InChI=1S/C21H32N2O3/c1-20(2,3)26-19(25)23-12-9-18(24)21(16-23)10-13-22(14-11-21)15-17-7-5-4-6-8-17/h4-8,18,24H,9-16H2,1-3H3 |
| InChI Key | CCPWELBIGSIDRL-UHFFFAOYSA-N |
| MDL Number | MFCD31652242 |
| Molecular Formula | C21H32N2O3 |
| Molecular Weight | 360.4904 |
| SMILES | OC1CCN(CC21CCN(CC2)Cc1ccccc1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 9-benzyl-5-hydroxy-2,9-diazaspiro[5.5]undecane-2-carboxylate,
CS-0079827,
2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 5-hydroxy-9-(phenylmethyl)-, 1,1-dimethylethyl ester,
2177264-69-4,
|
| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.241293g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.5g/mol |
| Monoisotopic Mass | 360.241293g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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