Basic information
- CAS
189065-49-4- Standard SMILES
FC(F)(F)c1cccc(N2CCOCC2)c1- InChIKey
YLLQOPCLNNFYOK-UHFFFAOYSA-N- Molecular formula
- C11H12F3NO
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.08709866
Names & identifiers
- Preferred name
- 4-(3-(Trifluoromethyl)phenyl)morpholine
- IUPAC
- 4-[3-(trifluoromethyl)phenyl]morpholine
- English name
- 4-(3-(trifluoromethyl)phenyl)morpholine
- Molecular formula
- C11H12F3NO
- Molecular weight
- 231.21
Names & synonyms
4-(3-(trifluoromethyl)phenyl)morpholine189065-49-44-[3-(Trifluoromethyl)phenyl]morpholineMorpholine, 4-[3-(trifluoromethyl)phenyl]-SCHEMBL1653981SCHEMBL57391493-trifluoromethylphenylmorpholineSCHEMBL27993852DTXSID00572611DB-294655
Database identifiers
- CAS
189065-49-4- PubChem CID
- 15420299
- DTXSID
DTXSID00572611- Nikkaji
- J828.269B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 293.7 · 293.7±40.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.82 · 3.82±0.40(Predicted)
Chemistry & industry
Suppliers9 total
郑州药领医药科技有限公司13526569071 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
33,793 records
HRID 1297808As productHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1297809As productHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1297810As productHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1297811As productHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1297812As productHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1297813As productHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1297814As productHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
Compound notes
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