| CAS Number | 1036027-87-8 |
| Catalog Number | AG003AGQ(AGN-PC-0WAK45) |
| Chemical Name | tert-butyl 4-[(1S)-1-aminoethyl]piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(1S)-1-aminoethyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C12H24N2O2/c1-9(13)10-5-7-14(8-6-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9-/m0/s1 |
| InChI Key | FQUVAASUKJSNRV-VIFPVBQESA-N |
| MDL Number | MFCD22666110 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | C[C@H](N)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1036027-87-8,
tert-butyl 4-[(1S)-1-aminoethyl]piperidine-1-carboxylate,
(s)-tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate,
(S)-1-Boc-4-(1-aminoethyl)piperidine,
SCHEMBL3503165,
FQUVAASUKJSNRV-VIFPVBQESA-N,
MFCD22666110,
ZINC72208672,
AKOS027253350,
SB11810,
KS-000004I9,
1-Boc-4-[(1S)-1-aminoethyl]piperidine,
AS-43371,
AJ-120687,
CS-0048239,
4-((S)-1-amino-ethyl)-piperidine-1-carboxylic acid tert-butyl ester,
tert-butyl 4-[(1R)-1-aminoethyl]piperidine-1-carboxylate,
1036027-86-7,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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