Basic information
- CAS
3626-53-7- Standard SMILES
CC1C(c2ccccc2)OCC[N+]1(C)C.[Br-]- InChIKey
XDQHRSLVYSNXRV-UHFFFAOYSA-M- Molecular formula
- C13H20BrNO
- Average molar mass
- 286.21 g/mol
- Monoisotopic mass
- 285.07283
Names & identifiers
- Preferred name
- Morpholinium, 2-phenyl-3,4,4-trimethyl-, bromide
- IUPAC
- 3,4,4-trimethyl-2-phenylmorpholin-4-ium bromide
Names & synonyms
3626-53-7Morpholinium, 2-phenyl-3,4,4-trimethyl-, bromideRefChem:1090011Phentrimetrazine3,4,4-Trimethyl-2-phenylmorpholinium bromide2-Phenyl-3,4,4-trimethyl-morpholinium bromide3,4,4-trimethyl-2-phenylmorpholin-4-ium bromideDTXSID80957649Morpholinium, 3,4,4-trimethyl-2-phenyl-, bromide
Database identifiers
- CAS
3626-53-7- PubChem CID
- 199019
- DTXSID
DTXSID80957649
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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