(S)-3-Aminopiperidine-2,6-dione hydrochloride CAS#: 25181-50-4; ChemWhat Code: 1402124
Identification
| Product Name | (S)-3-Aminopiperidine-2,6-dione hydrochloride |
| IUPAC Name | (3S)-3-aminopiperidine-2,6-dione;hydrochloride |
| Molecular Structure |  |
| CAS Registry Number | 25181-50-4 |
| EINECS Number | No data available |
| MDL Number | MFCD15474943 |
| Beilstein Registry Number | No data available |
| Synonyms | 3‐aminopiperidine‐2,6-dione hydrochloride, (3S)-3-aminopiperidine-2,6-dione hydrochloride, (S)-3-aminopiperidine-2,6-dione hydrochloride, 3-aminopiperidine-2,6-dione hydrochloride, L-glutamic acid imide; hydrochloride, L-Glutaminsaeure-imid; Hydrochlorid |
| Molecular Formula | C5H9ClN2O2 |
| Molecular Weight | 164.59 |
| InChI | InChI=1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H/t3-;/m0./s1 |
| InChI Key | YCPULGHBTPQLRH-DFWYDOINSA-N |
| Canonical SMILES | C1CC(=O)NC(=O)[C@H]1N.Cl |
| Patent Information |
| No data available |
Physical Data
| Appearance | Off-white powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 218 – 220 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | water-d2 | 400 |
| Chemical shifts | 13C | d(4)-methanol | 100 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | potassium bromide |
| Description (Mass Spectrometry) |
| high resolution mass spectrometry (HRMS), spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| With hydrogenchloride; water In tetrahydrofuran at 20℃; for 12h; | 100% |
| With hydrogenchloride In 1,4-dioxane at 20℃; for 1h; | 100% |
| With hydrogenchloride In methanol; water at 0 – 20℃; Solvent; Temperature; Large scale; | 94.8% |
| With hydrogenchloride In 1,4-dioxane for 1h; Hydrolysis; |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Danger |
| GHS Hazard Statements | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 290621 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 164.592 |
| logP | -0.502 |
| HBA | 4 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 72.19 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| (S)-3-Aminopiperidine-2,6-dione hydrochloride CAS 25181-50-4 Used as organic synthesis intermediates. |
| (S)-3-Aminopiperidine-2,6-dione hydrochloride CAS 25181-50-4 Used as organic pharmaceutical intermediates. |
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