Basic information
- CAS
59083-66-8- Standard SMILES
Cc1ccc(CN2CCNCC2)cc1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
NUUCALHLARACKO-LVEZLNDCSA-N- Molecular formula
- C20H26N2O8
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.16891579
Names & identifiers
- Preferred name
- Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);1-[(4-methylphenyl)methyl]piperazine
Names & synonyms
Piperazine, 1-((4-methylphenyl)methyl)-, (Z)-2-butenedioate (1:2)59083-66-8RefChem:10956771-((4-Methylphenyl)methyl)piperazine (Z)-2-butenedioate (1:2)
Database identifiers
- CAS
59083-66-8- PubChem CID
- 6446089
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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