2,4,5-T tridecylamine salt
Basic information
- CAS
53404-85-6- Standard SMILES
CCCCCCCCCCCCC[NH3+].O=C([O-])COc1cc(Cl)c(Cl)cc1Cl- InChIKey
VQPUSCJJQMXTGM-UHFFFAOYSA-N- Molecular formula
- C21H34Cl3NO3
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 453.160427
Names & identifiers
- Preferred name
- 2,4,5-T tridecylamine salt
- IUPAC
- 2-(2,4,5-trichlorophenoxy)acetate;tridecylazanium
Names & synonyms
2,4,5-T tridecylamine salt53404-85-6UNII-4CVC28O971DTXSID0075021Tridecan-1-aminium (2,4,5-trichlorophenoxy)acetate
Database identifiers
- CAS
53404-85-6- PubChem CID
- 40760
- DTXSID
DTXSID0075021
Properties
Computed structural properties
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 298
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Related reactions
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Compound notes
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