| CAS Number | 1136478-30-2 |
| Catalog Number | AG008WF5(AGN-PC-0WOYRY) |
| Chemical Name | rac 5,6-Dehydro Pregabalin |
| IUPAC Name | 3-(aminomethyl)-5-methylhex-5-enoic acid |
| InChI | InChI=1S/C8H15NO2/c1-6(2)3-7(5-9)4-8(10)11/h7H,1,3-5,9H2,2H3,(H,10,11) |
| InChI Key | PASWFMDVINTBNV-UHFFFAOYSA-N |
| MDL Number | MFCD20660268 |
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.2102 |
| SMILES | CC(=C)CC(CN)CC(=O)O |
| Synonyms | 1136478-30-2,
rac 5,6-Dehydro Pregabalin,
3-(Aminomethyl)-5-methyl-5-hexenoic Acid,
5,6-Dehydropregabalin,
3-(aminomethyl)-5-methylhex-5-enoic acid,
SCHEMBL3907721,
DTXSID60649499,
FT-0665652,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.213g/mol |
| Monoisotopic Mass | 157.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number