Basic information
- CAS
6779-86-8- Standard SMILES
C[N+](C)(C)CCOc1ccccc1- InChIKey
VCXBSHBJVUIQHJ-UHFFFAOYSA-N- Molecular formula
- C11H18NO+
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.1388392
Names & identifiers
- Preferred name
- Trimethyl(2-Phenoxyethyl)Azanium
- IUPAC
- trimethyl(2-phenoxyethyl)azanium
Names & synonyms
trimethyl(2-phenoxyethyl)azaniumRefChem:191759CHEMBL209891N,N,N-trimethyl-2-phenoxyethanaminium6779-86-8SCHEMBL9182123DTXSID40274501BDBM50188956AKOS040824765N,N,N-Trimethyl-2-phenoxyethan-1-aminiumn,n,n-trimethyl-2-phenoxyethanaminium bromideEthanaminium, N,N,N-trimethyl-2-phenoxy-, bromide
Database identifiers
- CAS
6779-86-8- PubChem CID
- 9725
- DTXSID
DTXSID40274501- ChEMBL
CHEMBL209891
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…