3-{[2-Bromo-4-(tert-pentyl)phenoxy]-methyl}piperidine hydrochloride
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Basic information
- CAS
1220020-41-6- Standard SMILES
CCC(C)(C)c1ccc(OCC2CCCNC2)c(Br)c1.Cl- InChIKey
OXUBFCBLFHGLDU-UHFFFAOYSA-N- Molecular formula
- C17H27BrClNO
- Average molar mass
- 376.8 g/mol
- Monoisotopic mass
- 375.09645
Names & identifiers
- Preferred name
- 3-{[2-Bromo-4-(tert-pentyl)phenoxy]-methyl}piperidine hydrochloride
- IUPAC
- 3-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine;hydrochloride
- English name
- 3-{[2-Bromo-4-(tert-pentyl)phenoxy]-methyl}piperidine hydrochloride
- Molecular formula
- C17H27BrClNO
- Molecular weight
- 376.76
Names & synonyms
1220020-41-63-{[2-BROMO-4-(TERT-PENTYL)PHENOXY]-METHYL}PIPERIDINE HYDROCHLORIDE3-((2-Bromo-4-(tert-pentyl)phenoxy)methyl)piperidine hydrochloride3-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine;hydrochlorideAKOS0158438083-((2-Bromo-4-(tert-pentyl)phenoxy)methyl)piperidinehydrochloride
Database identifiers
- CAS
1220020-41-6- PubChem CID
- 53409593
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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