Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester
Basic information
- CAS
78329-82-5- Standard SMILES
CCCCOc1ccc(C(=O)OC(CCc2ccccc2)(CN(C)C)CN(C)C)cc1- InChIKey
FTPBXVAJKGEDJB-UHFFFAOYSA-N- Molecular formula
- C26H38N2O3
- Average molar mass
- 426.6 g/mol
- Monoisotopic mass
- 426.28824308
Names & identifiers
- Preferred name
- Benzoic acid, 4-butoxy-, 1,1-bis((dimethylamino)methyl)-3-phenylpropyl ester
- IUPAC
- [1-(dimethylamino)-2-[(dimethylamino)methyl]-4-phenylbutan-2-yl] 4-butoxybenzoate
Names & synonyms
78329-82-5BENZOIC ACID, 4-BUTOXY-, 1,1-BIS((DIMETHYLAMINO)METHYL)-3-PHENYLPROPYL ESTER1,1-Bis((dimethylamino)methyl)-3-phenylpropyl 4-butoxybenzoateDTXSID602289854-Butoxybenzoic acid 1,1-bis((dimethylamino)methyl)-3-phenylpropyl esteralpha,alpha-Di-((dimethylamino)methyl)-gamma-phenylpropyl 4-n-butoxybenzoateRefChem:327540DTXCID101514761-(dimethylamino)-2-[(dimethylamino)methyl]-4-phenylbutan-2-yl 4-butoxybenzoate
Database identifiers
- CAS
78329-82-5- PubChem CID
- 50733
- DTXSID
DTXSID60228985- Nikkaji
- J73.890E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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