1-Piperazinepropionic acid, 4-(2-((alpha-propylbenzyl)oxy)ethyl)-, maleate (1:2)
Basic information
- CAS
61897-45-8- Standard SMILES
CCCC(OCCN1CCN(CCC(=O)O)CC1)c1ccccc1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
DVDKKYGYPMOIBT-LVEZLNDCSA-N- Molecular formula
- C27H38N2O11
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.24756003
Names & identifiers
- Preferred name
- 1-Piperazinepropionic acid, 4-(2-((alpha-propylbenzyl)oxy)ethyl)-, maleate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);3-[4-[2-(1-phenylbutoxy)ethyl]piperazin-1-yl]propanoic acid
Names & synonyms
61897-45-81-Piperazinepropionic acid, 4-(2-((alpha-propylbenzyl)oxy)ethyl)-, maleate (1:2)RefChem:10566904-(2-((alpha-Propylbenzyl)oxy)ethyl)-1-piperazinepropionic acid maleate (1:2)
Database identifiers
- CAS
61897-45-8- PubChem CID
- 6446534
Properties
Computed structural properties
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…