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Molecule
Cyclohexylethylamine
CAS: 5459-93-8 · C8H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5459-93-8
- Molecular Formula
- C8H17N
- Molecular Mass
- 127.23 g/mol
Identifiers
CAS Registry Number
5459-93-8
SMILES
CCNC1CCCCC1
InChI Key
AGVKXDPPPSLISR-UHFFFAOYSA-N
InChI
InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
Names and Synonyms
- Cyclohexylethylamine Common Name
- Cyclohexanamine, N-ethyl- Synonym
- Cyclohexylamine, N-ethyl- Synonym
- N-Ethylcyclohexanamine Synonym
- Accelerator HX Synonym
- Cyclohexylethylamine Synonym
- N-Ethylcyclohexylamine Synonym
- N-Cyclohexylethylamine Synonym
- Vulkacit HX Synonym
- (Ethylamino)cyclohexane Synonym
- N-Cyclohexyl-N-ethylamine Synonym
- NSC 6272 Synonym
- N-Ethyl-N-cyclohexylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.23 g/mol | CAS Common Chemistry |
| 127.23100000000001 g/mol | RDKit | |
| 127.231 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.868 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Canonical SMILES | N(CC)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AGVKXDPPPSLISR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclohexylethylamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.9286 | RDKit |
| Molar Refractivity | 40.54970000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 127.136099544 g/mol | RDKit |
| Boiling Point | 164 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 127.23 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H17N.
