Basic information
- CAS
3578-28-7- Standard SMILES
CCN(CC)CCCOC(=O)C(c1ccccc1)c1ccccc1- InChIKey
STNOBQQZVRBHSV-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Names & identifiers
- Preferred name
- Acetic acid, 2,2-diphenyl-, 3-(diethylamino)propyl ester
- IUPAC
- 3-(diethylamino)propyl 2,2-diphenylacetate
Names & synonyms
3578-28-7ACETIC ACID, 2,2-DIPHENYL-, 3-(DIETHYLAMINO)PROPYL ESTERBRN 22206142,2-Diphenylacetic acid 3-(diethylamino)propyl ester3-(Diethylamino)propyl 2,2-diphenyl acetateDTXSID00189309RefChem:316385DTXCID801118003-(diethylamino)propyl diphenylacetate3-(diethylamino)propyl 2,2-diphenylacetateCHEMBL1619643STK528119
Show more names
AKOS005461020NCGC00246246-01NCGC00246246-02NCGC00246246-04AB00637873-08AB00637873-11AE-641/02528025
Database identifiers
- CAS
3578-28-7- PubChem CID
- 19152
- DTXSID
DTXSID00189309- ChEMBL
CHEMBL1619643- Nikkaji
- J86.180D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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