Morpholine, 4-butyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride
Basic information
- CAS
26629-94-7- Standard SMILES
CCCCN1CCOC(c2cccc(C(F)(F)F)c2)C1.Cl- InChIKey
XKFYUVMWLVEYOL-UHFFFAOYSA-N- Molecular formula
- C15H21ClF3NO
- Average molar mass
- 323.78 g/mol
- Monoisotopic mass
- 323.1263765
Names & identifiers
- Preferred name
- Morpholine, 4-butyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride
- IUPAC
- 4-butyl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride
Names & synonyms
26629-94-74-Butyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)morpholine hydrochlorideMorpholine, 4-butyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochlorideRefChem:357846DTXSID009494654-Butyl-2-[3-(trifluoromethyl)phenyl]morpholine--hydrogen chloride (1/1)
Database identifiers
- CAS
26629-94-7- PubChem CID
- 213532
- DTXSID
DTXSID00949465
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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