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Molecule
(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
Identifiers
CAS Registry Number
75-23-0
SMILES
CC[NH2+][B-](F)(F)F
InChI Key
YXPKGDMOOYFBKA-UHFFFAOYSA-N
InChI
InChI=1S/C2H7BF3N/c1-2-7-3(4,5)6/h2,7H2,1H3
Names and Synonyms
- (T-4)-(Ethanamine)Trifluoroboron Common Name
- Boron, (ethanamine)trifluoro-, (T-4)- Synonym
- Ethylamine, compd. with boron fluoride (BF3) (1:1) Synonym
- Ethanamine, compd. with trifluoroborane (1:1) Synonym
- Ethylamine, compd. with BF3 (1:1) Synonym
- Ethylamine, compd. with BF3 Synonym
- Boron fluoride (BF3), compd. with ethylamine (1:1) Synonym
- Borane, trifluoro-, compd. with ethanamine (1:1) Synonym
- (T-4)-(Ethanamine)trifluoroboron Synonym
- Boron trifluoride-monoethylamine complex Synonym
- Monoethylamine-boron trifluoride complex Synonym
- Boron trifluoride-ethylamine complex Synonym
- Boron trifluoride-ethylamine complex (1:1) Synonym
- Ethylamine-boron trifluoride complex (1:1) Synonym
- Ethylamine, compd. with boron fluoride (BF3) Synonym
- Ethylamine-boron trifluoride complex Synonym
- Boron fluoride-ethylamine salt Synonym
- BF 3-400 Synonym
- Boron trifluoride ethylamine Synonym
- HT973 Synonym
- Araldite HT 973 Synonym
- Sumicure BFM Synonym
- (Ethylamine)trifluoroboron Synonym
- Trifluoroborane ethylamine complex Synonym
- Trifluoroborane ethylamine Synonym
- Trifluoroboron monoethylamine complex (1:1) Synonym
- Ethylamine boron trifluoride Synonym
- BF3-monoethylamine 1:1 complex Synonym
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 |
| -0.0862 | RDKit | |
| Molar Refractivity | 21.5444 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 112.889 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
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MW = 112.89 g/mol. Edit any field — others recompute live.
