4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
Basic information
- CAS
42016-66-0- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1- InChIKey
HDFNRSMLACSMOH-UHFFFAOYSA-N- Molecular formula
- C23H31ClN2O5
- Average molar mass
- 451 g/mol
- Monoisotopic mass
- 450.1921498
Names & identifiers
- Preferred name
- 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
- IUPAC
- 2-(4-chlorophenoxy)-2-methylpropanoic acid;2-(diethylamino)ethyl 4-aminobenzoate
Names & synonyms
EINECS 255-624-842016-66-04-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionateDTXSID80962157HDFNRSMLACSMOH-UHFFFAOYSA-N2-(4-Chlorophenoxy)-2-methylpropanoic acid--2-(diethylamino)ethyl 4-aminobenzoate (1/1)
Database identifiers
- CAS
42016-66-0- PubChem CID
- 6451817
- DTXSID
DTXSID80962157- EC Number
- 255-624-8
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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