Benzoic acid, p-butoxy-, (bis(dimethylaminomethyl)phenethyl)methyl ester, hydrochloride
Basic information
- CAS
69781-03-9- Standard SMILES
CCCCOc1ccc(C(=O)OC(CCc2ccccc2)(CN(C)C)C[NH+](C)C)cc1.[Cl-]- InChIKey
RHXABAQMLZAWLG-UHFFFAOYSA-N- Molecular formula
- C26H39ClN2O3
- Average molar mass
- 463.1 g/mol
- Monoisotopic mass
- 462.2649208
Names & identifiers
- Preferred name
- Benzoic acid, p-butoxy-, (bis(dimethylaminomethyl)phenethyl)methyl ester, hydrochloride
- IUPAC
- [2-(4-butoxybenzoyl)oxy-2-[(dimethylamino)methyl]-4-phenylbutyl]-dimethylazanium chloride
Names & synonyms
69781-03-9Benzoic acid, p-butoxy-, (bis(dimethylaminomethyl)phenethyl)methyl ester, hydrochlorideRefChem:1079309p-Butoxybenzoic acid (bis(dimethylaminomethyl)phenethyl)methyl ester hydrochloridealpha,alpha-Di(dimethylaminomethyl)-gamma-phenylpropyl-4-butoxy benzoate hydrochloride
Database identifiers
- CAS
69781-03-9- PubChem CID
- 50732
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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