3-Hydroxyadamantane-1-acetic acid
Synonym(s):3-Hydroxy-1-(carboxymethyl)adamantane;3-Hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid
- CAS NO.:17768-36-4
- Empirical Formula: C12H18O3
- Molecular Weight: 210.27
- MDL number: MFCD00167797
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-21 20:59:35
What is 3-Hydroxyadamantane-1-acetic acid?
Chemical properties
Light yellow powder
The Uses of 3-Hydroxyadamantane-1-acetic acid
3-Hydroxyadamantane-1-acetic acid is a derivative of adamantane. Its crystal structure has been analyzed through X-ray diffraction, revealing stabilization through intermolecular O-H...O hydrogen bonds that form a chain. The application of adamantane and its derivatives is widespread in medicine. For example, adamantaneamine has demonstrated efficacy in inhibiting influenza A virus exuviation and in easing Parkinsonian symptoms (Lu et al., 1996).
Properties of 3-Hydroxyadamantane-1-acetic acid
Melting point: | 125-129 °C |
Boiling point: | 375.3±15.0 °C(Predicted) |
Density | 1.329 |
storage temp. | Sealed in dry,Room Temperature |
solubility | soluble in Methanol |
form | powder to crystaline |
pka | 4.72±0.10(Predicted) |
color | White to Almost white |
InChI | InChI=1S/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14) |
CAS DataBase Reference | 17768-36-4(CAS DataBase Reference) |
Safety information for 3-Hydroxyadamantane-1-acetic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3-Hydroxyadamantane-1-acetic acid
InChIKey | JFMDWSCOQLUOCZ-UHFFFAOYSA-N |
SMILES | C12(CC(O)=O)CC3CC(CC(O)(C3)C1)C2 |
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4-HYDROXYPHENOXYACETIC ACID
Adamantane
Acetic acid
TARTRONIC ACID
1-METHYLCYCLOOCTANOL
AKOS BB-9052
(3-HYDROXY-ADAMANTAN-1-YL)-ACETIC ACID
CYCLOOCTANOL
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