Basic information
- CAS
53404-86-7- Standard SMILES
CC[NH+](CC)CCO.O=C([O-])COc1cc(Cl)c(Cl)cc1Cl- InChIKey
MCGYTQYRYWZUBC-UHFFFAOYSA-N- Molecular formula
- C14H20Cl3NO4
- Average molar mass
- 372.7 g/mol
- Monoisotopic mass
- 371.045791
Names & identifiers
- Preferred name
- Diethyl(2-hydroxyethyl)azanium; 2-(2,4,5-trichlorophenoxy)acetate
- IUPAC
- diethyl(2-hydroxyethyl)azanium;2-(2,4,5-trichlorophenoxy)acetate
Names & synonyms
Caswell No. 881HUNII-ZJL8FTG2VWEINECS 258-538-9EPA Pesticide Chemical Code 082038diethyl(2-hydroxyethyl)azanium; 2-(2,4,5-trichlorophenoxy)acetate2,4,5-Trichlorophenoxyacetic acid, N,N-diethylethanolamine saltDB-257556NS00090035
Database identifiers
- CAS
53404-86-7- PubChem CID
- 40762
Properties
Computed structural properties
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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