Basic information
- CAS
73664-13-8- Standard SMILES
CC1(C[N+](C)(C)C)COC(c2ccccc2)(c2ccccc2)OC1.[Br-]- InChIKey
WAXRPIUDZHIYIF-UHFFFAOYSA-M- Molecular formula
- C21H28BrNO2
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 405.13034
Names & identifiers
- Preferred name
- Ammonium, (2,2-diphenyl-5-methyl-5-dioxanylmethyl)trimethyl-, bromide
- IUPAC
- trimethyl-[(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)methyl]azanium bromide
Names & synonyms
73664-13-8Ammonium, (2,2-diphenyl-5-methyl-5-dioxanylmethyl)trimethyl-, bromideRefChem:1076690(2,2-Diphenyl-5-methyl-5-dioxanylmethyl)trimethylammonium bromideDTXSID409944742,2-Diphenyl-5-methyl-5-dimethylaminomethyl-1,3-dioxane methobromideN,N,N-Trimethyl(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)methanaminium bromide
Database identifiers
- CAS
73664-13-8- PubChem CID
- 52031
- DTXSID
DTXSID40994474
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…