3-Quinuclidinol, 2-methylene-3-(3,4-xylyl)-, hydrochloride
Basic information
- CAS
82380-45-8- Standard SMILES
C=C1N2CCC(CC2)C1(O)c1ccc(C)c(C)c1.Cl- InChIKey
RHZMNUBJUBLWEN-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO
- Average molar mass
- 279.8 g/mol
- Monoisotopic mass
- 279.138992
Names & identifiers
- Preferred name
- 3-Quinuclidinol, 2-methylene-3-(3,4-xylyl)-, hydrochloride
- IUPAC
- 3-(3,4-dimethylphenyl)-2-methylidene-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
- English name
- 2-Methylene-3-(3,4-xylyl)-3-quinuclidinol hydrochloride
- Molecular formula
- C16H21NO.ClH
- Molecular weight
- 279.81
Names & synonyms
2-Methylene-3-(3,4-xylyl)-3-quinuclidinol hydrochloride82380-45-83-Quinuclidinol, 2-methylene-3-(3,4-xylyl)-, hydrochloride2-Methylene-3-(3',4'-dimethyl)-3-hydroxyquinuclidine hydrochloride1-Azabicyclo(2.2.2)octan-3-ol, 3-(3,4-dimethylphenyl)-2-methylene-, hydrochlorideRefChem:282605SMR000119079MLS000121657CHEMBL1880545DTXSID901002636AKOS024325387ST50447589
Show more names
1-Azabicyclo[2.2.2]octan-3-ol, 3-(3,4-dimethylphenyl)-2-methylene-, hydrochloride (1:1)
SR-01000326243SR-01000326243-13-(3,4-Dimethyl-phenyl)-2-methylene-1-aza-bicyclo[2.2.2]octan-3-ol3-(3,4-DIMETHYLPHENYL)-2-METHYLENEQUINUCLIDIN-3-OL HYDROCHLORIDE3-(3,4-dimethylphenyl)-2-methylidene-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride3-(3,4-Dimethylphenyl)-2-methylidene-1-azabicyclo[2.2.2]octan-3-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
82380-45-8- PubChem CID
- 3067902
- DTXSID
DTXSID901002636- ChEMBL
CHEMBL1880545- EC Number
- 144-049-7
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 205 · 205-207 °C (decomp)
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%)
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Compound notes
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