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Molecule
2-Pentylpyridine
CAS: 2294-76-0 · C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2294-76-0
- Molecular Formula
- C10H15N
- Molecular Mass
- 149.24 g/mol
Identifiers
CAS Registry Number
2294-76-0
SMILES
CCCCCc1ccccn1
InChI Key
HSDXVAOHEOSTFZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
Names and Synonyms
- 2-Pentylpyridine Systematic Name
- Pyridine, 2-pentyl- Synonym
- 2-Pentylpyridine Synonym
- NSC 4693 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.24 g/mol | CAS Common Chemistry |
| 149.237 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9016 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 206.5-207.0 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HSDXVAOHEOSTFZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Pentylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| 12.36 Ų | chempirical lib | |
| LogP | 2.814300000000001 | RDKit |
| 2.8143 | RDKit | |
| Molar Refractivity | 47.46600000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 149.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 149.24 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15N.
