Basic information
- CAS
73713-58-3- Standard SMILES
CC[NH+](CC)C(C)COC(=O)c1ccc(Cl)cc1Cl.[Cl-]- InChIKey
XGTYWKQQTJLJII-UHFFFAOYSA-N- Molecular formula
- C14H20Cl3NO2
- Average molar mass
- 340.7 g/mol
- Monoisotopic mass
- 339.055962
Names & identifiers
- Preferred name
- Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride
- IUPAC
- 1-(2,4-dichlorobenzoyl)oxypropan-2-yl-diethylazanium chloride
Names & synonyms
73713-58-3BENZOIC ACID, 2,4-DICHLORO-, 2-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDERefChem:10789152,4-Dichlorobenzoic acid 2-(diethylamino)propyl ester hydrochloridebeta-Diethylaminopropyl 2,4-dichlorobenzoate hydrochloride
Database identifiers
- CAS
73713-58-3- PubChem CID
- 52258
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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