N-Ethyl-4-fluorobenzylamine
Basic information
- CAS
162401-03-8- Standard SMILES
CCNCc1ccc(F)cc1- InChIKey
CURFQQZYGVCIGJ-UHFFFAOYSA-N- Molecular formula
- C9H12FN
- Average molar mass
- 153.2 g/mol
- Monoisotopic mass
- 153.09537755
Names & identifiers
- Preferred name
- N-Ethyl-4-fluorobenzylamine
- IUPAC
- N-[(4-fluorophenyl)methyl]ethanamine
- English name
- Benzenemethanamine, N-ethyl-4-fluoro- (9CI)
- Molecular formula
- C9H12FN
- Molecular weight
- 153.2
Names & synonyms
N-ETHYL-4-FLUOROBENZYLAMINE162401-03-8N-(4-fluorobenzyl)ethanamineN-[(4-fluorophenyl)methyl]ethanamineBENZENEMETHANAMINE, N-ETHYL-4-FLUORO-Ethyl-(4-fluoro-benzyl)-amineethyl[(4-fluorophenyl)methyl]amineMFCD04537942Benzenemethanamine, N-ethyl-4-fluoro- (9CI)EN300-17204954-fluoro-N-ethylbenzylamineSCHEMBL4798311
Show more names
N-Ethyl-4-fluorobenzylamine,97%N-(4-fluorobenzyl)ethanamine(SALTDATA: HCl)N-Ethyl-4-fluorobenzylamine , N-Ethyl-4-fluorobenzylamine
SCHEMBL4962736SCHEMBL8852123DTXSID80405877CURFQQZYGVCIGJ-UHFFFAOYSA-NBDBM626042N-ethyl-4-fluorobenzenemethanamineSTK510873AKOS000151949
Database identifiers
- CAS
162401-03-8- PubChem CID
- 4716481
- DTXSID
DTXSID80405877
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- Boiling point
- 56 · 56-58 °C(Press: 3 Torr)
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.74 · 9.74±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- HazardClass
- 8 · 8
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921490090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt is an OLED material, active pharmaceutical intermediate and a dyestuff.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
5 records
Compound notes
Loading…