3-(4-methylpiperazin-1-yl)propanoic acid
- CAS NO.：55480-45-0
- Empirical Formula: C8H16N2O2
- Molecular Weight: 172.22
- MDL number: MFCD00513444
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-10-30 14:18:54
What is 3-(4-methylpiperazin-1-yl)propanoic acid?
Synthesis
Ethyl 3-(4-methylpiperazin-1-yl)propanoate could be used as a starting material to synthesize 3-(4-methylpiperazin-1-yl)propanoic acid via hydrolysis reaction.
Properties of 3-(4-methylpiperazin-1-yl)propanoic acid
| Boiling point: | 305.5±27.0 °C(Predicted) |
| Density | 1.095±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| pka | 4.55±0.10(Predicted) |
| InChI | InChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12) |
Safety information for 3-(4-methylpiperazin-1-yl)propanoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H320:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 3-(4-methylpiperazin-1-yl)propanoic acid
| InChIKey | JSHLMMUXJIDENZ-UHFFFAOYSA-N |
| SMILES | N1(CCC(O)=O)CCN(C)CC1 |
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![3-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YL]-PROPIONIC ACID](https://img.chemicalbook.in/CAS/GIF/70920-53-5.gif)
![3-[4-(2,4-DICHLOROBENZOYL)PIPERAZIN-1-YL]PROPANOIC ACID](https://img.chemicalbook.in/StructureFile/ChemBookStructure7/GIF/CB5755174.gif)
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