| CAS Number | 1290046-61-5 |
| Catalog Number | AG01DLCJ |
| Chemical Name | tert-Butyl 3-(1-aminopropyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(1-aminopropyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C13H26N2O2/c1-5-11(14)10-7-6-8-15(9-10)12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3 |
| InChI Key | KLYQWOXEDGDKEN-UHFFFAOYSA-N |
| MDL Number | MFCD20232830 |
| Molecular Formula | C13H26N2O2 |
| Molecular Weight | 242.3577 |
| SMILES | O=C(N1CC(C(N)CC)CCC1)OC(C)(C)C |
| Synonyms | tert-Butyl 3-(1-aminopropyl)piperidine-1-carboxylate,
1290046-61-5,
1-Boc-3-(1-aminopropyl)piperidine,
MFCD20232830,
AKOS022682537,
AK526238,
DS-19096,
t-Butyl 3-(1-aminopropyl)piperidine-1-carboxylate,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.363g/mol |
| Monoisotopic Mass | 242.199g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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