2-[1-(2-Chlorobenzyl)-3-oxo-2-piperazinyl]-acetic acid
Basic information
- CAS
1022919-09-0- Standard SMILES
O=C(O)CC1C(=O)NCCN1Cc1ccccc1Cl- InChIKey
SPWNROYGRVIXKP-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O3
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.07712
Names & identifiers
- Preferred name
- 2-[1-(2-Chlorobenzyl)-3-oxo-2-piperazinyl]-acetic acid
- IUPAC
- 2-[1-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
- English name
- 2-[1-(2-Chlorobenzyl)-3-oxo-2-piperazinyl]-acetic acid
- Molecular formula
- C13H15ClN2O3
- Molecular weight
- 282.72
Names & synonyms
1022919-09-02-[1-(2-CHLOROBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID2-{1-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl}acetic acid2-(1-(2-Chlorobenzyl)-3-oxopiperazin-2-yl)acetic acid2-[1-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid{1-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl}acetic acid[1-(2-chlorobenzyl)-3-oxopiperazin-2-yl]acetic acidMFCD05870481[1-(2-chlorobenzyl)-3-oxo-2-piperazinyl]acetic acidDTXSID501199726HMS5175A032-[1-[(2-chlorophenyl)methyl]-3-oxo-piperazin-2-yl]acetic Acid
Show more names
2-Piperazineacetic acid, 1-[(2-chlorophenyl)methyl]-3-oxo-2-[1-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate
BBL024353SBB080130STK324312AKOS000319700AKOS017269496NCGC00300080-01VS-07819CS-0321514
Database identifiers
- CAS
1022919-09-0- PubChem CID
- 2997459
- DTXSID
DTXSID501199726
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 527.1 · 527.1±45.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.10(Predicted)
- 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.
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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