| CAS Number | 1398504-05-6 |
| Catalog Number | AG001BQP(AGN-PC-0WCYMV) |
| Chemical Name | TRANS-METHYL 4-AMINO-1-BENZYLPIPERIDINE-3-CARBOXYLATE HCL |
| IUPAC Name | methyl (3S,4S)-4-amino-1-benzylpiperidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C14H20N2O2.ClH/c1-18-14(17)12-10-16(8-7-13(12)15)9-11-5-3-2-4-6-11;/h2-6,12-13H,7-10,15H2,1H3;1H/t12-,13-;/m0./s1 |
| InChI Key | JDJLOUBQBCYCEN-QNTKWALQSA-N |
| MDL Number | MFCD22573657 |
| Molecular Formula | C14H21ClN2O2 |
| Molecular Weight | 284.7817 |
| SMILES | Cl.COC(=O)[C@H]1CN(CC2=CC=CC=C2)CC[C@@H]1N |
| Synonyms | TRANS-METHYL 4-AMINO-1-BENZYLPIPERIDINE-3-CARBOXYLATE HCL,
1398504-05-6,
trans-Methyl 4-amino-1-benzylpiperidine-3-carboxylate hydrochloride,
MFCD22573657,
AS-36594,
AX8266696,
X-2020,
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| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.784g/mol |
| Monoisotopic Mass | 284.129g/mol |
| Rotatable Bond Count | 4 |
| 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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