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4-Fluoro-N-Methylbenzenemethanamine
CAS: 405-66-3 | C8H10FN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
405-66-3
Molecular Formula:
C8H10FN
Molecular Weight:
139.17299999999997 g/mol
Names and Synonyms:
4-Fluoro-N-Methylbenzenemethanamine
1-(4-Fuorophenyl)-N-methylmethanamine
[(4-Fluorophenyl)methyl](methyl)amine
1-(4-Fluorophenyl)-N-methylmethanamine
(4-Fluorophenyl)-N-methylmethanamine
N-[(4-Fluorophenyl)methyl]-N-methylamine
N-(4-Fluorobenzyl)methylamine
N-Methyl-4-fluorobenzylamine
(4-Fluorobenzyl)methylamine
N-(4-Fluorobenzyl)-N-methylamine
4-Fluoro-N-methylbenzylamine
4-Fluoro-N-methylbenzenemethanamine
Benzylamine, p-fluoro-N-methyl-
Benzenemethanamine, 4-fluoro-N-methyl-
Identifiers:
SMILES:
CNCc1ccc(F)cc1
InChI:
InChI=1S/C8H10FN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 139.17 g/mol | Legacy Database |
| cas-boiling-point | 80-82 °C @ Press: 14 Torr | Legacy Database | |
| cas-canonical-smile | FC1=CC=C(C=C1)CNC | Legacy Database | |
| cas-inchi | InChI=1S/C8H10FN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=SZJIQLSCDIEJFC-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 4-Fluoro-N-methylbenzenemethanamine | Legacy Database | |
| LogP | 1.5451 | RDKit | |
| Molecular | Molecular Weight | 139.17299999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 139.07972754 g/mol | RDKit |
| Heavy | Heavy Atom Count | 10 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 12.03 Ų | RDKit |
| Molar | Molar Refractivity | 39.16370000000001 | RDKit |
