Basic information
- CAS
64050-96-0- Standard SMILES
C[N+](C)(C)c1cc(O)cc([N+](C)(C)C)c1.[Cl-].[Cl-]- InChIKey
KMOLOOJMKSFREQ-UHFFFAOYSA-M- Molecular formula
- C12H22Cl2N2O
- Average molar mass
- 281.22 g/mol
- Monoisotopic mass
- 280.1109187
Names & identifiers
- Preferred name
- 3,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)
- IUPAC
- [3-hydroxy-5-(trimethylazaniumyl)phenyl]-trimethylazanium dichloride
Names & synonyms
64050-96-0DTXSID109824293,5-Bis(trimethylazaniumyl)phenolate chloride--hydrogen chloride (1/1/1)RefChem:1065876DTXCID301409692AMMONIUM, 5-HYDROXY-m-PHENYLENEBIS(TRIMETHYL-, DICHLORIDERo 2-3265N,N'-(5-Hydroxy-1,3-phenylene)di(trimethylammonium)dichloride
Database identifiers
- CAS
64050-96-0- PubChem CID
- 47044
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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