1H-Indazole, 3-(N,N-dimethylethoxy)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Basic information
- CAS
21487-12-7- Standard SMILES
CN(C)CCOc1nn(-c2cccc(C(F)(F)F)c2)c2ccccc12- InChIKey
PZVXOQBSEVRLKE-UHFFFAOYSA-N- Molecular formula
- C18H18F3N3O
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 349.14019669
Names & identifiers
- Preferred name
- 1H-Indazole, 3-(N,N-dimethylethoxy)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
- IUPAC
- N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]indazol-3-yl]oxyethanamine
- English name
- 3-[2-(Dimethylamino)ethoxy]-1-[3-(trifluoromethyl)phenyl]-1H-indazole
- Molecular formula
- C18H18F3N3O
- Molecular weight
- 349.35
Names & synonyms
21487-12-7ITF 999BRN 08441973-(N,N-Dimethylethoxy)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-indazole1H-Indazole, 3-(N,N-dimethylethoxy)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-RefChem:2383663-[2-(Dimethylamino)Ethoxy]-1-[3-(Trifluoromethyl)Phenyl]-1H-IndazoleDTXSID90944080N,N-Dimethyl-2-({1-[3-(trifluoromethyl)phenyl]-1H-indazol-3-yl}oxy)ethan-1-amineITF-999Ethanamine, N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1H-indazol-3-yl]oxy]-
Database identifiers
- CAS
21487-12-7- PubChem CID
- 210680
- DTXSID
DTXSID90944080- Nikkaji
- J41.012H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 384.7 · 384.7±42.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 8.38 · 8.38±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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