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Pyridine-Borane
CAS: 110-51-0 | C5H8BN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-51-0
Molecular Formula:
C5H8BN
Molecular Weight:
92.93799999999999 g/mol
Names and Synonyms:
Pyridine-Borane
Synonym
Boron, trihydro(pyridine)-, (T-4)-
Synonym
Pyridine, compd. with borane (1:1)
Synonym
Pyridine, compd. with BH3 (1:1)
Synonym
Pyridine, compd. with BH3
Synonym
Borane, compd. with pyridine (1:1)
Synonym
(T-4)-Trihydro(pyridine)boron
Synonym
Pyridine-borane
Synonym
Trihydro(pyridine)boron
Synonym
Borane-pyridine (1:1)
Synonym
NSC 10219
Synonym
NSC 53324
Synonym
Borane pyridine complex
Synonym
Identifiers:
SMILES:
[BH3-][n+]1ccccc1
InChI:
InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3
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 | 92.94 g/mol | Legacy Database |
| cas-canonical-smile | [H-][B+3]([H-])([H-])[N]=1C=CC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LPGWNCNRGQANGC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 46-47 °C None | Legacy Database |
| cas-name | Pyridine-borane None | Legacy Database |
| LogP | -0.8974000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 92.93799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 93.074979656 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 | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.88 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.973999999999993 | RDKit |