Piperazine, 1-((2-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
59083-67-9- Standard SMILES
Clc1ccccc1CN1CCNCC1.O=C(O)/C=C/C(=O)O- InChIKey
AZXAVSQLIIIJPC-WLHGVMLRSA-N- Molecular formula
- C15H19ClN2O4
- Average molar mass
- 326.77 g/mol
- Monoisotopic mass
- 326.1033348
Names & identifiers
- Preferred name
- Piperazine, 1-((2-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-[(2-chlorophenyl)methyl]piperazine
Names & synonyms
Piperazine, 1-((2-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:1)59083-67-9RefChem:10956611-((2-Chlorophenyl)methyl)piperazine (Z)-2-butenedioate (1:1)
Database identifiers
- CAS
59083-67-9- PubChem CID
- 6446090
Properties
Computed structural properties
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…