Back to Search
(T-4)-(Ethanamine)Trifluoroboron
CAS: 75-23-0 | C2H7BF3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-23-0
Molecular Formula:
C2H7BF3N
Molecular Weight:
112.891 g/mol
Names and Synonyms:
(T-4)-(Ethanamine)Trifluoroboron
BF3-monoethylamine 1:1 complex
Ethylamine boron trifluoride
Trifluoroboron monoethylamine complex (1:1)
Trifluoroborane ethylamine
Trifluoroborane ethylamine complex
(Ethylamine)trifluoroboron
Sumicure BFM
Araldite HT 973
HT973
Boron trifluoride ethylamine
BF 3-400
Boron fluoride-ethylamine salt
Ethylamine-boron trifluoride complex
Ethylamine, compd. with boron fluoride (BF3)
Ethylamine-boron trifluoride complex (1:1)
Boron trifluoride-ethylamine complex (1:1)
Boron trifluoride-ethylamine complex
Monoethylamine-boron trifluoride complex
Boron trifluoride-monoethylamine complex
(T-4)-(Ethanamine)trifluoroboron
Borane, trifluoro-, compd. with ethanamine (1:1)
Boron fluoride (BF3), compd. with ethylamine (1:1)
Ethylamine, compd. with BF3
Ethylamine, compd. with BF3 (1:1)
Ethanamine, compd. with trifluoroborane (1:1)
Ethylamine, compd. with boron fluoride (BF3) (1:1)
Boron, (ethanamine)trifluoro-, (T-4)-
Identifiers:
SMILES:
CC[NH2+][B-](F)(F)F
InChI:
InChI=1S/C2H7BF3N/c1-2-7-3(4,5)6/h2,7H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 112.89 g/mol | Legacy Database |
| cas-canonical-smile | [F-][B+3]([F-])([F-])[NH2]CC None | Legacy Database |
| cas-inchi | InChI=1S/C2H7BF3N/c1-2-7-3(4,5)6/h2,7H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YXPKGDMOOYFBKA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (T-4)-(Ethanamine)trifluoroboron None | Legacy Database |
| LogP | -0.08620000000000039 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 112.891 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 113.062364284 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 16.61 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.5444 | RDKit |
