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Molecule
Pyridine-Borane
CAS: 110-51-0 · C5H8BN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-51-0
- Molecular Formula
- C5H8BN
- Molecular Mass
- 92.94 g/mol
Identifiers
CAS Registry Number
110-51-0
SMILES
[BH3-][n+]1ccccc1
InChI Key
LPGWNCNRGQANGC-UHFFFAOYSA-N
InChI
InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 92.94 g/mol | CAS Common Chemistry |
| 92.93799999999999 g/mol | RDKit | |
| 93.074979656 g/mol | RDKit | |
| 92.938 g/mol | RDKit | |
| Canonical SMILES | [H-][B+3]([H-])([H-])[N]=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LPGWNCNRGQANGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 46-47 °C | CAS Common Chemistry |
| Name | Pyridine-borane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.88 Ų | RDKit |
| LogP | -0.8974000000000004 | RDKit |
| -0.8974 | RDKit | |
| Molar Refractivity | 31.973999999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 92.936 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 92.94 g/mol. Edit any field — others recompute live.
