Basic information
- CAS
21937-03-1- Standard SMILES
CC(CN1CC(C)OC(C)C1)CN(c1ccncc1)c1cccc(C(F)(F)F)c1.O=C(O)c1ccccc1O- InChIKey
OLZKQBUPRAKZAT-UHFFFAOYSA-N- Molecular formula
- C29H34F3N3O4
- Average molar mass
- 545.6 g/mol
- Monoisotopic mass
- 545.25014106
Names & identifiers
- Preferred name
- 4-Morpholinepropanamine, N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-beta,2,6-trimethyl-, mono(2-hydroxybenzoate)
- IUPAC
- N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine;2-hydroxybenzoic acid
Names & synonyms
21937-03-14-Morpholinepropanamine, N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-beta,2,6-trimethyl-, mono(2-hydroxybenzoate)RefChem:294927DTXSID009445312-Hydroxybenzoic acid--N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine (1/1)
Database identifiers
- CAS
21937-03-1- PubChem CID
- 210933
- DTXSID
DTXSID00944531
Properties
Computed structural properties
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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