Basic information
- CAS
6964-77-8- Standard SMILES
CN(C)CCOC(=O)CC(c1ccccc1)C(CC(=O)OCCN(C)C)c1ccccc1- InChIKey
CUOITKIRYAMQFH-UHFFFAOYSA-N- Molecular formula
- C26H36N2O4
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.26750763
Names & identifiers
- Preferred name
- Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate
- IUPAC
- bis[2-(dimethylamino)ethyl] 3,4-diphenylhexanedioate
Names & synonyms
6964-77-8bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioateDTXSID00328913bis[2-(dimethylamino)ethyl] 3,4-diphenylhexanedioate
Database identifiers
- CAS
6964-77-8- PubChem CID
- 415248
- DTXSID
DTXSID00328913
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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