| CAS Number | 1951439-12-5 |
| Catalog Number | AG00I356(AGN-PC-0WR2FT) |
| Chemical Name | trans-benzyl 3-amino-4-methylpiperidine-1-carboxylate hydrochloride |
| IUPAC Name | benzyl (3S,4R)-3-amino-4-methylpiperidine-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C14H20N2O2.ClH/c1-11-7-8-16(9-13(11)15)14(17)18-10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H/t11-,13-;/m1./s1 |
| InChI Key | MMJLWUJXQMYCPX-LOCPCMAASA-N |
| MDL Number | MFCD28119121 |
| Molecular Formula | C14H21ClN2O2 |
| Molecular Weight | 284.7817 |
| SMILES | Cl.C[C@@H]1CCN(C[C@H]1N)C(=O)OCC1=CC=CC=C1 |
| Synonyms | TRANS-BENZYL 3-AMINO-4-METHYLPIPERIDINE-1-CARBOXYLATE HCL,
1951439-12-5,
trans-benzyl 3-amino-4-methylpiperidine-1-carboxylate hydrochloride,
MFCD28119121,
AKOS032946123,
AS-39876,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.784g/mol |
| Monoisotopic Mass | 284.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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