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Molecule
N,N-Diethylcyclohexylamine
CAS: 91-65-6 · C10H21N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 91-65-6
- Molecular Formula
- C10H21N
- Molecular Mass
- 155.29 g/mol
Identifiers
CAS Registry Number
91-65-6
SMILES
CCN(CC)C1CCCCC1
InChI Key
CIXSDMKDSYXUMJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
Names and Synonyms
- N,N-Diethylcyclohexylamine Synonym
- Cyclohexanamine, N,N-diethyl- Synonym
- Cyclohexylamine, N,N-diethyl- Synonym
- N,N-Diethylcyclohexanamine Synonym
- N,N-Diethylcyclohexylamine Synonym
- Diethylcyclohexylamine Synonym
- Cyclohexyldiethylamine Synonym
- NSC 5313 Synonym
- N-Cyclohexyl-N,N-diethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.29 g/mol | CAS Common Chemistry |
| 155.28499999999997 g/mol | RDKit | |
| 155.285 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8445 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 193 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)(CC)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CIXSDMKDSYXUMJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172 °C | CAS Common Chemistry |
| Name | N,N-Diethylcyclohexylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.6609000000000007 | RDKit |
| 2.6609 | RDKit | |
| Molar Refractivity | 49.79400000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 155.167399672 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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20
0 ppm
| 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 = 155.29 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H21N.
