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tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate hydrochloride - 98%, high purity , CAS No.1403676-97-0
Basic Description
| Synonyms | 8-Boc-3,8-diaza-bicyclo[3.2.1]octane Hydrochloride |
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| Specifications & Purity | ≥98% |
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| Shipped In | Normal |
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Names and Identifiers
| Pubchem Sid | 488202348 |
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| IUPAC Name | tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride |
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| INCHI | InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8;/h8-9,12H,4-7H2,1-3H3;1H |
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| InChi Key | PEFVMMCFCHFPIN-UHFFFAOYSA-N |
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| Canonical SMILES | CC(C)(C)OC(=O)N1C2CCC1CNC2.Cl |
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| Isomeric SMILES | CC(C)(C)OC(=O)N1C2CCC1CNC2.Cl |
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| PubChem CID | 74889701 |
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| Molecular Weight | 248.74964 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 248.750 g/mol |
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| XLogP3 | |
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| Hydrogen Bond Donor Count | 2 |
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| Hydrogen Bond Acceptor Count | 3 |
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| Rotatable Bond Count | 2 |
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| Exact Mass | 248.129 Da |
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| Monoisotopic Mass | 248.129 Da |
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| Topological Polar Surface Area | 41.600 Ų |
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| Heavy Atom Count | 16 |
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| Formal Charge | 0 |
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| Complexity | 248.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 2 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 2 |
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