| CAS Number | 1820580-25-3 |
| Catalog Number | AG00J0WV(AGN-PC-0WRAL1) |
| Chemical Name | rac-(2S,6S)-2-allyl-6-butyl-1,2,3,6-tetrahydropyridine hydrochloride |
| IUPAC Name | (2S,6S)-6-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine;hydrochloride |
| InChI | InChI=1S/C12H21N.ClH/c1-3-5-8-12-10-6-9-11(13-12)7-4-2;/h4,6,10-13H,2-3,5,7-9H2,1H3;1H/t11-,12-;/m0./s1 |
| InChI Key | UAHYSJCZSZAOAC-FXMYHANSSA-N |
| MDL Number | MFCD28038731 |
| Molecular Formula | C12H22ClN |
| Molecular Weight | 215.7628 |
| SMILES | N1[C@@H](CC=C)CC=C[C@@H]1CCCC.Cl |
| Synonyms | rac-(2S,6S)-2-Allyl-6-butyl-1,2,3,6-tetrahydropyridine hydrochloride,
1820580-25-3,
MFCD28038731,
AKOS030630944,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.765g/mol |
| Monoisotopic Mass | 215.144g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number