Basic information
- CAS
104450-33-1- Standard SMILES
CCOCc1cc(OCC(O)CNC(C)C)ccc1C(C)=O.CCOCc1cc(OCC(O)CNC(C)C)ccc1C(C)=O.O=C(O)/C=C/C(=O)O- InChIKey
GDEATITWUQUWFK-WXXKFALUSA-N- Molecular formula
- C38H58N2O12
- Average molar mass
- 734.9 g/mol
- Monoisotopic mass
- 734.39897529
Names & identifiers
- Preferred name
- Acetophenone, 2'-(ethoxymethyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, fumarate (2:1)
- IUPAC
- (E)-but-2-enedioic acid;bis(1-[2-(ethoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone)
Names & synonyms
Acetophenone, 2'-(ethoxymethyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, fumarate (2:1)104450-33-1RefChem:10759002'-(Ethoxymethyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)acetophenone fumarate (2:1)
Database identifiers
- CAS
104450-33-1- PubChem CID
- 24832575
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 22
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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