Basic information
- CAS
54955-02-1- Standard SMILES
C[NH+](CCBr)CCI.[Cl-]- InChIKey
IWZRLWNTUPNIHQ-UHFFFAOYSA-N- Molecular formula
- C5H12BrClIN
- Average molar mass
- 328.42 g/mol
- Monoisotopic mass
- 326.88864
Names & identifiers
- Preferred name
- Diethylamine, 2-bromo-2'-iodo-N-methyl-, hydrochloride
- IUPAC
- 2-bromoethyl-(2-iodoethyl)-methylazanium chloride
Names & synonyms
54955-02-1DIETHYLAMINE, 2-BROMO-2'-IODO-N-METHYL-, HYDROCHLORIDERefChem:10835262-Bromo-2'-iodo-N-methyldiethylamine hydrochloride
Database identifiers
- CAS
54955-02-1- PubChem CID
- 41253
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 51.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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