(S)-3-Aminopiperidine-2,6-dione hydrochloride CAS#: 25181-50-4

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name(S)-3-Aminopiperidine-2,6-dione hydrochloride
IUPAC Name(3S)-3-aminopiperidine-2,6-dione;hydrochloride
Molecular StructureStructure of (S)-3-Aminopiperidine-2,6-dione hydrochloride CAS 25181-50-4
CAS Registry Number 25181-50-4
EINECS NumberNo data available
MDL NumberMFCD15474943
Beilstein Registry NumberNo data available
Synonyms3‐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 FormulaC5H9ClN2O2
Molecular Weight164.59
InChIInChI=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 KeyYCPULGHBTPQLRH-DFWYDOINSA-N
Canonical SMILESC1CC(=O)NC(=O)[[email protected]]1N.Cl
Patent Information
No data available

Physical Data

AppearanceOff-white powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo 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 shifts1Hwater-d2400
Chemical shifts13Cd(4)-methanol100
(S)-3-Aminopiperidine-2,6-dione hydrochloride CAS#: 25181-50-4 NMRHNMR of (S)-3-Aminopiperidine-2,6-dione hydrochloride CAS 25181-50-4
Description (IR Spectroscopy)Solvent (IR Spectroscopy)
Bandspotassium bromide
Description (Mass Spectrometry)
high resolution mass spectrometry (HRMS), spectrum

Route of Synthesis (ROS)

Route of Synthesis (ROS) of (S)-3-Aminopiperidine-2,6-dione hydrochloride CAS 25181-50-4
Route of Synthesis (ROS) of (S)-3-Aminopiperidine-2,6-dione hydrochloride CAS 25181-50-4
ConditionsYield
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)exclamation-mark
SignalDanger
GHS Hazard StatementsH302 (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 CodesP261, 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

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS Code290621
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight164.592
logP-0.502
HBA4
HBD2
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)
72.19
Rotatable Bond (RotB)0
Matching Veber Rules2
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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