4-(4-Acetylpiperazin-1-yl)-4-oxobutanoic acid
Basic information
- CAS
389056-48-8- Standard SMILES
CC(=O)N1CCN(C(=O)CCC(=O)O)CC1- InChIKey
RSAMZHWOFXKAGI-UHFFFAOYSA-N- Molecular formula
- C10H16N2O4
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.111007
Names & identifiers
- Preferred name
- 4-(4-Acetylpiperazin-1-yl)-4-oxobutanoic acid
- IUPAC
- 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid
- English name
- 4-(4-ACETYLPIPERAZIN-1-YL)-4-OXOBUTANOIC ACID
- Molecular formula
- C10H16N2O4
- Molecular weight
- 228.25
Names & synonyms
4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid389056-48-8DTXSID201328625RefChem:513813DTXCID701758029979-025-2MFCD037004074-(4-acetyl-1-piperazinyl)-4-oxobutanoic acidAQ-360/41714901MLS000773827SCHEMBL5858550SCHEMBL6499575
Show more names
AKOS BB-62564-Acetyl-γ-oxo-1-piperazinebutanoic acid4-Acetyl-γ-oxo-1-piperazinebutanoic acid1-Piperazinebutanoic acid, 4-acetyl-γ-oxo-4-Acetyl-gamma-oxo-1-piperazinebutanoic acid
CHEMBL1906181RSAMZHWOFXKAGI-UHFFFAOYSA-NAKOS000263321SMR000364659SY152461CS-0233416EN300-133384-(4-acetylpiperazin-1-yl)-4-oxobutanoicacid
Database identifiers
- CAS
389056-48-8- PubChem CID
- 851827
- DTXSID
DTXSID201328625- ChEMBL
CHEMBL1906181- EC Number
- 979-025-2
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Solubility30.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 509.5 · 509.5±45.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.98 · 4.98±0.17(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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