| CAS Number | 671816-04-9 |
| Catalog Number | AG00FDU7(AGN-PC-0TNEKV) |
| Chemical Name | (1R)-trans-4-[N-Boc-1-aminoethyl]-N-4-pyridinyl-cyclohexanecarboxamide |
| IUPAC Name | tert-butyl N-[1-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]carbamate |
| InChI | InChI=1S/C19H29N3O3/c1-13(21-18(24)25-19(2,3)4)14-5-7-15(8-6-14)17(23)22-16-9-11-20-12-10-16/h9-15H,5-8H2,1-4H3,(H,21,24)(H,20,22,23) |
| InChI Key | YHCODQSFLBHLDV-UHFFFAOYSA-N |
| MDL Number | MFCD16294318 |
| Molecular Formula | C19H29N3O3 |
| Molecular Weight | 347.4519 |
| SMILES | O=C(OC(C)(C)C)N[C@@H]([C@H]1CC[C@H](C(NC2=CC=NC=C2)=O)CC1)C |
| Synonyms | (1R)-trans-4-[N-Boc-1-aminoethyl]-N-4-pyridinyl-cyclohexanecarboxamide,
671816-04-9,
N-(4-Pyridyl)-4beta-[1-[(tert-butoxycarbonyl)amino]ethyl]cyclohexane-1alpha-carboxamide,
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| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.459g/mol |
| Monoisotopic Mass | 347.221g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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