Basic information
- CAS
23245-04-7- Standard SMILES
O=C(O)Cc1ccccc1.c1ccc(N2CCNCC2)cc1- InChIKey
DNFADVVFRPPBIC-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.16812795
Names & identifiers
- Preferred name
- Phenylacetic acid-1-phenylpiperazine(1:1)
- IUPAC
- 2-phenylacetic acid;1-phenylpiperazine
Names & synonyms
23245-04-7phenylacetic acid- 1-phenylpiperazine(1:1)NSC110639DTXSID50296633NSC-110639DS-004362Phenylacetic acid--1-phenylpiperazine (1/1)
Database identifiers
- CAS
23245-04-7- PubChem CID
- 269486
- DTXSID
DTXSID50296633
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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