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Molecule
2-Pyridinepropanol
CAS: 2859-68-9 · C8H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2859-68-9
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
2859-68-9
SMILES
OCCCc1ccccn1
InChI Key
FVZXYJDGVYLMDB-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,3,5,7H2
Names and Synonyms
- 2-Pyridinepropanol Systematic Name
- 2-Pyridinepropanol Synonym
- 3-(2-Pyridyl)-1-propanol Synonym
- 2-Pyridylpropanol Synonym
- 3-(2-Pyridyl)propanol Synonym
- 2-(3-Hydroxypropyl)pyridine Synonym
- 3-(α-Pyridyl)propanol Synonym
- 2-(γ-Hydroxypropyl)pyridine Synonym
- 3-Pyridin-2-ylpropanol Synonym
- 3-Pyridin-2-ylpropan-1-ol Synonym
- NSC 2243 Synonym
- Pyripropanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.18199999999996 g/mol | RDKit | |
| 137.182 g/mol | RDKit | |
| Boiling Point | 260.2 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCC1=NC=CC=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,3,5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FVZXYJDGVYLMDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | 2-Pyridinepropanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 1.0065 | RDKit |
| Molar Refractivity | 39.64380000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.375 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 137.084063972 g/mol | RDKit |
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.
External Resources
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MW = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
