Basic information
- CAS
73680-68-9- Standard SMILES
CC[N+](CC)(CC)Cc1ccccc1.O=C([O-])COc1ccc(Cl)cc1Cl- InChIKey
TYDHYKNWUCSXFK-UHFFFAOYSA-M- Molecular formula
- C21H27Cl2NO3
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 411.1367991
Names & identifiers
- Preferred name
- Ammonium, benzyltriethyl-, 2,4-dichlorophenoxyacetate
- IUPAC
- benzyl(triethyl)azanium;2-(2,4-dichlorophenoxy)acetate
Names & synonyms
NSC 221292Benzyltriethylammonium 2,4-dichlorophenoxyacetateAMMONIUM, BENZYLTRIETHYL-, 2,4-DICHLOROPHENOXYACETATE73680-68-9Ammonium, (benzyltriethyl)-, 2,4-(dichlorophenoxy)acetateDTXSID00223939Benzenemethanaminium, N,N,N-triethyl-, salt with (2,4-dichlorophenoxy)acetic acid (1:1)RefChem:319173DTXCID80146430Benzenemethanaminium, N,N,N-triethyl-, salt with (2,4-dichlorophenoxy)acetic acid (1:1) (9CI)NSC221292NSC-221292
Show more names
WLN: OV1OR BG DG &2K2&2&1R(Benzyltriethyl)ammonium 2,4-(dichlorophenoxy)acetateN-benzyl-N,N-diethylethanaminium (2,4-dichlorophenoxy)acetateBenzenemethanaminium,N,N-triethyl-, salt with (2,4-dichlorophenoxy)acetic acid (1:1)
Database identifiers
- CAS
73680-68-9- PubChem CID
- 52129
- DTXSID
DTXSID00223939
Properties
Computed structural properties
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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