| CAS Number | 1391054-02-6 |
| Catalog Number | AG001AA9(AGN-PC-0WBMWM) |
| Chemical Name | 5-Hexenoic acid, 4-amino-, hydrochloride (1:1) |
| IUPAC Name | 4-aminohex-5-enoic acid;hydrochloride |
| InChI | InChI=1S/C6H11NO2.ClH/c1-2-5(7)3-4-6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H |
| InChI Key | FBNKOYLPAMUOHS-UHFFFAOYSA-N |
| MDL Number | MFCD28142357 |
| Molecular Formula | C6H12ClNO2 |
| Molecular Weight | 165.6180 |
| SMILES | Cl.NC(C=C)CCC(O)=O |
| Synonyms | Vigabatrin Hydrochloride,
Vigabatrin (Hydrochloride),
1391054-02-6,
rac-Vigabatrin Hydrochloride,
vigabatrin HCl,
SCHEMBL20659806,
BCP16218,
HY-B0033,
(c)(3/4)-Vinyl-GABA hydrochloride,
AKOS026749798,
4-Amino-5-hexenoic Acid Hydrochloride,
CS-2750,
SC-82297,
EN300-245869,
5-Hexenoic acid, 4-amino-, hydrochloride (1:1),
( inverted exclamation markA)-|A-Vinyl GABA Hydrochloride,
( inverted exclamation markA)-4-Amino-5-hexenoic Acid Hydrochloride,
Vigabatrin HCI,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.617g/mol |
| Monoisotopic Mass | 165.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number