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Molecule
N-Ethylpiperidine
CAS: 766-09-6 · C7H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 766-09-6
- Molecular Formula
- C7H15N
- Molecular Mass
- 113.20 g/mol
Identifiers
CAS Registry Number
766-09-6
SMILES
CCN1CCCCC1
InChI Key
HTLZVHNRZJPSMI-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3
Names and Synonyms
- N-Ethylpiperidine Synonym
- Piperidine, 1-ethyl- Synonym
- 1-Ethylpiperidine Synonym
- N-Ethylpiperidine Synonym
- NSC 2090 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.20 g/mol | CAS Common Chemistry |
| 113.20400000000001 g/mol | RDKit | |
| 113.204 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.8232 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 130.8 °C | CAS Common Chemistry |
| Canonical SMILES | N1(CC)CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HTLZVHNRZJPSMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-113 °C | CAS Common Chemistry |
| Name | N-Ethylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 1.4922 | RDKit |
| Molar Refractivity | 35.96499999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.12044947999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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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MW = 113.20 g/mol; density = 0.820 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15N.
