Basic information
- CAS
78329-99-4- Standard SMILES
CCOc1ccc(C(=O)OCC(C)(C)CN(CC)CC)cc1- InChIKey
GFUGJIQXJUTTMP-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Names & identifiers
- Preferred name
- 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate
- IUPAC
- [3-(diethylamino)-2,2-dimethylpropyl] 4-ethoxybenzoate
Names & synonyms
78329-99-4DTXSID209996843-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoateRefChem:1067050DTXCID701426654gamma-Diethylamino-beta-dimethylpropyl-4-ethoxybenzoate4-Ethoxybenzoic acid 3-(diethylamino)-2-dimethylpropyl ester3-(Diethylamino)-2-dimethylpropyl-4-ethoxybenzoateBenzoic acid, 4-ethoxy-, 3-(diethylamino)-2-dimethylpropyl ester
Database identifiers
- CAS
78329-99-4- PubChem CID
- 49083
- DTXSID
DTXSID20999684- Nikkaji
- J83.393B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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