| CAS Number | 908334-27-0 |
| Catalog Number | AG00IL1D(AGN-PC-0WG3IJ) |
| Chemical Name | tert-butyl 2-(3-aminophenyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-(3-aminophenyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-5-4-9-14(18)12-7-6-8-13(17)11-12/h6-8,11,14H,4-5,9-10,17H2,1-3H3 |
| InChI Key | URRTXXSKMLRQHG-UHFFFAOYSA-N |
| MDL Number | MFCD08751508 |
| Molecular Formula | C16H24N2O2 |
| Molecular Weight | 276.3740 |
| SMILES | NC=1C=C(C=CC1)C1N(CCCC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 2-(3-aminophenyl)piperidine-1-carboxylate,
908334-27-0,
CS-0048681,
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| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.38g/mol |
| Monoisotopic Mass | 276.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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