2-IMIDAZOLINE, 2-(m-TRIFLUOROMETHYLBENZYL)-
Basic information
- CAS
3038-55-9- Standard SMILES
FC(F)(F)c1cccc(CC2=NCCN2)c1- InChIKey
LRBKIWYUGFTYDU-UHFFFAOYSA-N- Molecular formula
- C11H11F3N2
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.08743285
Names & identifiers
- Preferred name
- 2-IMIDAZOLINE, 2-(m-TRIFLUOROMETHYLBENZYL)-
- IUPAC
- 2-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
- English name
- 2-[m-(Trifluoromethyl)benzyl]-2-imidazoline
- Molecular formula
- C11H11F3N2
- Molecular weight
- 228.21
Names & synonyms
2-IMIDAZOLINE, 2-(m-TRIFLUOROMETHYLBENZYL)-3038-55-9BRN 09151842-(m-Trifluoromethylbenzyl)-2-imidazoline2-[m-(Trifluoromethyl)benzyl]-2-imidazolineSCHEMBL953586DTXSID30184463LRBKIWYUGFTYDU-UHFFFAOYSA-N2-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-4,5-DIHYDRO-1H-IMIDAZOLE1H-Imidazole, 4,5-dihydro-2-[[3-(trifluoromethyl)phenyl]methyl]-
Database identifiers
- CAS
3038-55-9- PubChem CID
- 18217
- DTXSID
DTXSID30184463- Nikkaji
- J40.927H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 327.5 · 327.5±42.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 10.46 · 10.46±0.40(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…