2-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, (E)-2-butenedioate (2:1) (salt)
Basic information
- CAS
53073-95-3- Standard SMILES
O=C(O)/C=C/C(=O)O.OCCC1CN(CC2COc3ccccc3O2)CCN1.OCCC1CN(CC2COc3ccccc3O2)CCN1- InChIKey
LXCHEMYOTVCYEC-WXXKFALUSA-N- Molecular formula
- C34H48N4O10
- Average molar mass
- 672.8 g/mol
- Monoisotopic mass
- 672.33704374
Names & identifiers
- Preferred name
- 2-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, (E)-2-butenedioate (2:1) (salt)
- IUPAC
- (E)-but-2-enedioic acid;bis(2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-2-yl]ethanol)
Names & synonyms
53073-95-3RefChem:10641972-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, (E)-2-butenedioate (2:1) (salt)CRL 400401-(2-(1,4-Benzodioxanyl)methyl)-4-(2-hydroxyethyl)piperazine hemifumarate2-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, (E)-2- butenedioate (2:1) (salt)
Database identifiers
- CAS
53073-95-3- PubChem CID
- 6445971
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 422
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…