Basic information
- CAS
356531-50-5- Standard SMILES
CCOc1ccc(NCc2ccc(F)cc2)cc1- InChIKey
QHXYFKKCYJTASY-UHFFFAOYSA-N- Molecular formula
- C15H16FNO
- Average molar mass
- 245.29 g/mol
- Monoisotopic mass
- 245.1215923
Names & identifiers
- Preferred name
- 4-ethoxy-N-[(4-fluorophenyl)methyl]aniline
- IUPAC
- 4-ethoxy-N-[(4-fluorophenyl)methyl]aniline
- English name
- 4-Ethoxy-N-(4-fluorobenzyl)aniline, 97%
- Molecular formula
- C15H16FNO
- Molecular weight
- 245.29
Names & synonyms
4-ethoxy-N-[(4-fluorophenyl)methyl]aniline356531-50-54-Ethoxy-N-(4-fluorobenzyl)anilineOprea1_617498DTXSID301250873AKOS000231922N-(4-Ethoxyphenyl)-4-fluorobenzenemethanamineBenzenemethanamine, N-(4-ethoxyphenyl)-4-fluoro-
Database identifiers
- CAS
356531-50-5- PubChem CID
- 962176
- DTXSID
DTXSID301250873
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 366.8 · 366.8±27.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.25(Predicted)
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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