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Molecule
(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 Mass
- 115.03 g/mol
Identifiers
CAS Registry Number
1722-26-5
SMILES
[BH3-][N+](CC)(CC)CC
InChI Key
ONRDAGWFOUZNLV-UHFFFAOYSA-N
InChI
InChI=1S/C6H18BN/c1-4-8(7,5-2)6-3/h4-6H2,1-3,7H3
Names and Synonyms
- (T-4)-(N,N-Diethylethanamine)Trihydroboron Synonym
- Boron, (N,N-diethylethanamine)trihydro-, (T-4)- Synonym
- Triethylamine, compd. with borane (1:1) Synonym
- Ethanamine, N,N-diethyl-, compd. with borane (1:1) Synonym
- Borazane, N,N,N-triethyl- Synonym
- Borane, compd. with triethylamine (1:1) Synonym
- Borane, compd. with N,N-diethylethanamine (1:1) Synonym
- Ethanamine, N,N-diethyl-, boron complex Synonym
- (T-4)-(N,N-Diethylethanamine)trihydroboron Synonym
- Borane complex with triethylamine (1:1) Synonym
- Triethylamine complex with borane (1:1) Synonym
- Triethylamine-borane Synonym
- Borane adduct with triethylamine (1:1) Synonym
- Triethylamine borane (1:1) Synonym
- Borane-triethylamine Synonym
- Trihydro(triethylamine)boron Synonym
- NSC 59740 Synonym
- Triethylamine compound with borane (1:1) Synonym
- (Triethylazaniumyl)boranuide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.03 g/mol | CAS Common Chemistry |
| 115.029 g/mol | RDKit | |
| 115.153229976 g/mol | RDKit | |
| Canonical SMILES | [H-][B+3]([H-])([H-])[N](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H18BN/c1-4-8(7,5-2)6-3/h4-6H2,1-3,7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ONRDAGWFOUZNLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4 °C | CAS Common Chemistry |
| Name | (T-4)-(N,N-Diethylethanamine)trihydroboron | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.14329999999999998 | RDKit |
| 0.1433 | RDKit | |
| Molar Refractivity | 41.82240000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 115.027 g/mol | chempirical lib |
| Boiling Point | 100-101 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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.
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MW = 115.03 g/mol. Edit any field — others recompute live.
