Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)dimethyl(2-hydroxyethyl)-, iodide
Basic information
- CAS
15495-08-6- Standard SMILES
C[N+](C)(CCO)CCOC12CCC(c3ccccc31)c1ccccc12.[I-]- InChIKey
DPQILMVQEKMOMS-UHFFFAOYSA-M- Molecular formula
- C22H28INO2
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 465.11648
Names & identifiers
- Preferred name
- Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)dimethyl(2-hydroxyethyl)-, iodide
- IUPAC
- 2-hydroxyethyl-dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium iodide
Names & synonyms
Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)dimethyl(2-hydroxyethyl)-, iodide15495-08-6(2-(9,10-Dihydro-9,10-ethano-9-anthryloxy)ethyl)dimethyl(2-hydroxyethyl)ammonium iodideRefChem:318755DTXSID009351012-[(9,10-Ethanoanthracen-9(10H)-yl)oxy]-N-(2-hydroxyethyl)-N,N-dimethylethan-1-aminium iodide
Database identifiers
- CAS
15495-08-6- PubChem CID
- 27338
- DTXSID
DTXSID00935101
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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