Back to Search
1-Butanamine, N-Butyl-, Tetrafluoroborate(1-) (1:1)
CAS: 12107-76-5 | C8H20BF4N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12107-76-5
Molecular Formula:
C8H20BF4N
Molecular Mass:
217.06 g/mol
Names and Synonyms:
1-Butanamine, N-Butyl-, Tetrafluoroborate(1-) (1:1)
1-Butanamine, N-butyl-, tetrafluoroborate(1-) (1:1)
Borate(1-), tetrafluoro-, hydrogen, compd. with N-butyl-1-butanamine (1:1)
1-Butanamine, N-butyl-, tetrafluoroborate(1-)
Dibutylamine, tetrafluoroborate
Dibutylamine, fluoborate
Dibutylamine tetrafluoroborate(1-)
Dibutylammonium tetrafluoroborate(1-)
NSC 221675
Identifiers:
SMILES:
CCCC[NH2+]CCCC.F[B-](F)(F)F
InChI:
InChI=1S/C8H19N.BF4/c1-3-5-7-9-8-6-4-2;2-1(3,4)5/h9H,3-8H2,1-2H3;/q;-1/p+1
Key Properties
Melting Point
212.8 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.06 g/mol | CAS Common Chemistry |
| 217.05899999999997 g/mol | RDKit | |
| 217.16249291999998 g/mol | RDKit | |
| Canonical SMILES | [H+].[F-][B+3]([F-])([F-])[F-].N(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H19N.BF4/c1-3-5-7-9-8-6-4-2;2-1(3,4)5/h9H,3-8H2,1-2H3;/q;-1/p+1 | CAS Common Chemistry |
| InChI Key | InChIKey=CAZKFGXFAVXKIF-UHFFFAOYSA-O | CAS Common Chemistry |
| Melting Point | 212.8 °C | CAS Common Chemistry |
| Name | 1-Butanamine, N-butyl-, tetrafluoroborate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 16.61 Ų | RDKit |
| LogP | 2.45 | RDKit |
| Molar Refractivity | 51.661400000000036 | RDKit |
