| CAS Number | 1301706-56-8 |
| Catalog Number | AG01FL5N(AGN-PC-3H4B21) |
| Chemical Name | (S)-(-)-2-(Boc-aminomethyl)-4,4-diethoxypiperidine fumarate |
| IUPAC Name | (E)-but-2-enedioic acid;tert-butyl N-[[(2S)-4,4-diethoxypiperidin-2-yl]methyl]carbamate |
| InChI | InChI=1S/C15H30N2O4.C4H4O4/c1-6-19-15(20-7-2)8-9-16-12(10-15)11-17-13(18)21-14(3,4)5;5-3(6)1-2-4(7)8/h12,16H,6-11H2,1-5H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-;/m0./s1 |
| InChI Key | HCNKZGJFFYKTGU-GYDOPSIJSA-N |
| MDL Number | MFCD09953464 |
| Molecular Formula | C19H34N2O8 |
| Molecular Weight | 418.4819 |
| SMILES | |
| Synonyms | MFCD09953464,
(S)-1-(tert-Butoxycarbonyl)-4,4-diethoxypiperidine-2-methylamine,
ZX-AT012921,
OR40211,
(2S)-2-(Aminomethyl)-4,4-diethoxypiperidine fumarate, 2-BOC protected,
tert-Butyl [(2S)-4,4-diethoxypiperidin-2-ylmethyl]carbamate (2E)-but-2-enedioate,
1301706-56-8,
(S)-(-)-2-(BOC-AMINOMETHYL)-4,4-DIETHOXYPIPERIDINE FUMARATE,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 418.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.487g/mol |
| Monoisotopic Mass | 418.232g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number