Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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N731179-1g
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1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$82.90
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| Specifications & Purity | ≥97% |
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Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Piperidinecarboxylic acids Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
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| IUPAC Name | benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate |
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| INCHI | InChI=1S/C19H28N2O4/c1-19(2,3)25-17(22)20-13-15-9-11-21(12-10-15)18(23)24-14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,20,22) |
| InChIKey | XZERNIFFYYTUKJ-UHFFFAOYSA-N |
| Smiles | CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)OCC2=CC=CC=C2 |
| Isomeric SMILES | CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)OCC2=CC=CC=C2 |
| Alternate CAS | 172348-56-0 |
| PubChem CID | 23577280 |
| Molecular Weight | 348.4 |
| Molecular Weight | 348.400 g/mol |
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| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 348.205 Da |
| Monoisotopic Mass | 348.205 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 433.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |