Piperazinium terephthalate
Basic information
- CAS
41857-87-8- Standard SMILES
C1CNCCN1.O=C(O)c1ccc(C(=O)O)cc1- InChIKey
CPITUWUGKLLLGH-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- Piperazinium terephthalate
- IUPAC
- piperazine;terephthalic acid
Names & synonyms
41857-87-8Piperazinium terephthalatebenzene-1,4-dicarboxylic acid- piperazine(1:1)NSC86818DTXSID20293013NSC-86818Benzene-1,4-dicarboxylic acid--piperazine (1/1)
Database identifiers
- CAS
41857-87-8- PubChem CID
- 258102
- DTXSID
DTXSID20293013
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…