Basic information
- CAS
78308-42-6- Standard SMILES
CC[N+](C)(C)Cc1ccccc1I.[I-]- InChIKey
VYTOILCNAOZXTQ-UHFFFAOYSA-M- Molecular formula
- C11H17I2N
- Average molar mass
- 417.07 g/mol
- Monoisotopic mass
- 416.94504
Overview
myocardial scanning agent; structure
Names & identifiers
- Preferred name
- 2-Iodobenzyldimethylethylammonium
- IUPAC
- ethyl-[(2-iodophenyl)methyl]-dimethylazanium iodide
Names & synonyms
2-Iodobenzyldimethylethylammonium78308-42-6Benzenemethanaminium, N-ethyl-2-iodo-N,N-dimethyl-, iodideRefChem:87679ethyl-[(2-iodophenyl)methyl]-dimethylazanium;iodideDTXSID40999661ortho-Iodobenzyldimethylethylammonium iodideN-[(2-Iodophenyl)methyl]-N,N-dimethylethanaminium iodide
Database identifiers
- CAS
78308-42-6- PubChem CID
- 192136
- DTXSID
DTXSID40999661
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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