Basic information
- CAS
82380-46-9- Standard SMILES
C=C1C(O)(c2ccc(C)c(C)c2)C2CC[N+]1(C)CC2.[I-]- InChIKey
KOYPZEXOCSNHCD-UHFFFAOYSA-M- Molecular formula
- C17H24INO
- Average molar mass
- 385.28 g/mol
- Monoisotopic mass
- 385.09026
Names & identifiers
- Preferred name
- Quinuclidinium, 3-hydroxy-1-methyl-2-methylene-3-(3,4-xylyl)-, iodide
- IUPAC
- 3-(3,4-dimethylphenyl)-1-methyl-2-methylidene-1-azoniabicyclo[2.2.2]octan-3-ol iodide
Names & synonyms
3-Hydroxy-1-methyl-2-methylene-3-(3,4-xylyl)quinuclidinium iodide82380-46-92-Methylene-3-(3',4'-dimethyl)-3-hydroxyquinuclidine methiodideQuinuclidinium, 3-hydroxy-1-methyl-2-methylene-3-(3,4-xylyl)-, iodide1-Azoniabicyclo(2.2.2)octane, 3-(3,4-dimethylphenyl)-3-hydroxy-1-methyl-2-methylene-, iodideRefChem:3789743-(3,4-dimethylphenyl)-1-methyl-2-methylidene-1-azoniabicyclo[2.2.2]octan-3-ol;iodideDTXSID601002637AKOS024418825(1s,4s)-3-(3,4-dimethylphenyl)-3-hydroxy-1-methyl-2-methylenequinuclidin-1-ium iodide3-(3,4-DIMETHYLPHENYL)-3-HYDROXY-1-METHYL-2-METHYLIDENE-1-AZABICYCLO[2.2.2]OCTAN-1-IUM IODIDE
Database identifiers
- CAS
82380-46-9- PubChem CID
- 3067904
- DTXSID
DTXSID601002637- EC Number
- 143-917-2
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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