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(T-4)-(N,N-Diethylethanamine)Trihydroboron
CAS: 1722-26-5 | C6H18BN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1722-26-5
Molecular Formula:
C6H18BN
Molecular Weight:
115.029 g/mol
Names and Synonyms:
(T-4)-(N,N-Diethylethanamine)Trihydroboron
Boron, (N,N-diethylethanamine)trihydro-, (T-4)-
Triethylamine, compd. with borane (1:1)
Ethanamine, N,N-diethyl-, compd. with borane (1:1)
Borazane, N,N,N-triethyl-
Borane, compd. with triethylamine (1:1)
Borane, compd. with N,N-diethylethanamine (1:1)
Ethanamine, N,N-diethyl-, boron complex
(T-4)-(N,N-Diethylethanamine)trihydroboron
Borane complex with triethylamine (1:1)
Triethylamine complex with borane (1:1)
Triethylamine-borane
Borane adduct with triethylamine (1:1)
Triethylamine borane (1:1)
Borane-triethylamine
Trihydro(triethylamine)boron
NSC 59740
Triethylamine compound with borane (1:1)
(Triethylazaniumyl)boranuide
Identifiers:
SMILES:
[BH3-][N+](CC)(CC)CC
InChI:
InChI=1S/C6H18BN/c1-4-8(7,5-2)6-3/h4-6H2,1-3,7H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 115.03 g/mol | Legacy Database |
| cas-boiling-point | 100-101 °C @ Press: 12 Torr None | Legacy Database |
| cas-canonical-smile | [H-][B+3]([H-])([H-])[N](CC)(CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C6H18BN/c1-4-8(7,5-2)6-3/h4-6H2,1-3,7H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ONRDAGWFOUZNLV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -4 °C None | Legacy Database |
| cas-name | (T-4)-(N,N-Diethylethanamine)trihydroboron None | Legacy Database |
| LogP | 0.14329999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.029 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 115.153229976 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.82240000000001 | RDKit |
