3-[(2-Bromo-4-methylphenoxy)methyl]piperidine hydrochloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
1185303-89-2- Standard SMILES
Cc1ccc(OCC2CCCNC2)c(Br)c1.Cl- InChIKey
HLNJZTCTQJNNAP-UHFFFAOYSA-N- Molecular formula
- C13H19BrClNO
- Average molar mass
- 320.65 g/mol
- Monoisotopic mass
- 319.03385
Names & identifiers
- Preferred name
- 3-[(2-Bromo-4-methylphenoxy)methyl]piperidine hydrochloride
- IUPAC
- 3-[(2-bromo-4-methylphenoxy)methyl]piperidine;hydrochloride
- English name
- 3-[(2-BROMO-4-METHYLPHENOXY)METHYL]PIPERIDINEHYDROCHLORIDE
- Molecular formula
- C13H19BrClNO
- Molecular weight
- 320.66
Names & synonyms
1185303-89-23-[(2-Bromo-4-methylphenoxy)methyl]piperidine hydrochloride3-((2-Bromo-4-methylphenoxy)methyl)piperidine hydrochlorideC13H19BrClNO3-[(2-Bromo-4-methylphenoxy)methyl]piperidinehydrochloride3-[(2-bromo-4-methylphenoxy)methyl]piperidine;hydrochloride3-((2-Bromo-4-methylphenoxy)methyl)piperidinehydrochloride0520ADDTXSID801378092AKOS015843807Piperidine, 3-[(2-bromo-4-methylphenoxy)methyl]-, hydrochloride (1:1)
Database identifiers
- CAS
1185303-89-2- PubChem CID
- 45075314
- DTXSID
DTXSID801378092
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…