Basic information
- CAS
67049-62-1- Standard SMILES
CCOc1ccc(C(=O)OCC(C)(C)C[NH+](CC)CC)cc1.[Cl-]- InChIKey
KPWUSJIIQPZSNJ-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO3
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1914215
Names & identifiers
- Preferred name
- 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- [3-(4-ethoxybenzoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride
Names & synonyms
67049-62-1DTXSID909860063-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)RefChem:1067051DTXCID801413195gamma-Diethylamino-beta-dimethylpropyl-4-ethoxy benzoate hydrochloridep-Ethoxybenzoic acid (3-(diethylamino)-2,2-dimethyl)propyl ester hydrochlorideBenzoic acid, p-ethoxy-, (3-(diethylamino)-2,2-dimethyl)propyl ester, hydrochloride
Database identifiers
- CAS
67049-62-1- PubChem CID
- 49082
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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