Basic information
- CAS
17601-49-9- Standard SMILES
C[NH2+]C.O=C([O-])c1cc(I)cc(I)c1I- InChIKey
ZHPOHJJDIBVQHS-UHFFFAOYSA-N- Molecular formula
- C9H10I3NO2
- Average molar mass
- 544.89 g/mol
- Monoisotopic mass
- 544.7846
Names & identifiers
- Preferred name
- Dimethylamonium 2,3,5-triiodobenzoate
- IUPAC
- dimethylazanium;2,3,5-triiodobenzoate
Names & synonyms
TIBA dimethylamine saltCaswell No. 890BRegim-82,3,5-Triiodobenzoic acid dimethylamine saltUNII-N39P8N1UDREPA Pesticide Chemical Code 0091052,3,5-Triiodobenzoic acid, dimethylamine saltN39P8N1UDRDTXSID1075012Dimethylamonium 2,3,5-triiodobenzoate2,3,5-TRIIODOBENZOIC ACID DIMETHYLAMINERefChem:200618
Show more names
DTXCID903559517601-49-9N-methylmethanaminium 2,3,5-triiodobenzoate
Database identifiers
- CAS
17601-49-9- PubChem CID
- 28637
- DTXSID
DTXSID1075012
Properties
Computed structural properties
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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