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(T-4)-(Ethanamine)Trifluoroboron
CAS: 75-23-0 | C2H7BF3N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
75-23-0
Molecular Formula:
C2H7BF3N
Molecular Mass:
112.89 g/mol
Names and Synonyms:
(T-4)-(Ethanamine)Trifluoroboron
Boron, (ethanamine)trifluoro-, (T-4)-
Ethylamine, compd. with boron fluoride (BF3) (1:1)
Ethanamine, compd. with trifluoroborane (1:1)
Ethylamine, compd. with BF3 (1:1)
Ethylamine, compd. with BF3
Boron fluoride (BF3), compd. with ethylamine (1:1)
Borane, trifluoro-, compd. with ethanamine (1:1)
(T-4)-(Ethanamine)trifluoroboron
Boron trifluoride-monoethylamine complex
Monoethylamine-boron trifluoride complex
Boron trifluoride-ethylamine complex
Boron trifluoride-ethylamine complex (1:1)
Ethylamine-boron trifluoride complex (1:1)
Ethylamine, compd. with boron fluoride (BF3)
Ethylamine-boron trifluoride complex
Boron fluoride-ethylamine salt
BF 3-400
Boron trifluoride ethylamine
HT973
Araldite HT 973
Sumicure BFM
(Ethylamine)trifluoroboron
Trifluoroborane ethylamine complex
Trifluoroborane ethylamine
Trifluoroboron monoethylamine complex (1:1)
Ethylamine boron trifluoride
BF3-monoethylamine 1:1 complex
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.89 g/mol | CAS Common Chemistry |
| 112.891 g/mol | RDKit | |
| 113.062364284 g/mol | RDKit | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[NH2]CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H7BF3N/c1-2-7-3(4,5)6/h2,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YXPKGDMOOYFBKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (T-4)-(Ethanamine)trifluoroboron | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 16.61 Ų | RDKit |
| LogP | -0.08620000000000039 | RDKit |
| Molar Refractivity | 21.5444 | RDKit |
