Basic information
- CAS
55037-65-5- Standard SMILES
CN1CCN(Cc2ccc3c(c2)CCCCC3)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
NNQOHAYIKGKBJC-LVEZLNDCSA-N- Molecular formula
- C25H34N2O8
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.23151605
Names & identifiers
- Preferred name
- Piperazine, 1-methyl-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Names & synonyms
55037-65-5Piperazine, 1-methyl-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2)RefChem:10960151-Methyl-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)piperazine dimaleate
Database identifiers
- CAS
55037-65-5- PubChem CID
- 6446166
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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