68506-86-5
Product Name:
(±)-4-aminohex-5-enoic acid
Formula:
C6H11NO2
Synonyms:
(±)-γ-Vinyl-GABA;(±)-4-Aminohexenoic acid;(R,S)-4-Amino-5-hexenoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from acetone/water |
| Melting Point | 171-176C |
| Solubility | 55.1 mg/mL |
| LogP | -1.96 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| pH | pH = 6.9 (1% aqueous solution) |
| Dissociation Constants | 4 and 9.7 |
| Other Experimental Properties | A racemate consisting of two enantiomers |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H372:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P314:Get medical advice/attention if you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 129.16 g/mol |
|---|---|
| XLogP3 | -2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 129.078978594 g/mol |
| Monoisotopic Mass | 129.078978594 g/mol |
| Topological Polar Surface Area | 63.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 112 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Vigabatrin is a gamma-amino acid having a gamma-vinyl GABA structure. It is an irreversible inhibitor of gamma-aminobutyric 664 acid transaminase It has a role as an anticonvulsant and an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor.