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N,N-Diethylcyclohexylamine
CAS: 91-65-6 | C10H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-65-6
Molecular Formula:
C10H21N
Molecular Mass:
155.29 g/mol
Names and Synonyms:
N,N-Diethylcyclohexylamine
Cyclohexanamine, N,N-diethyl-
Cyclohexylamine, N,N-diethyl-
N,N-Diethylcyclohexanamine
N,N-Diethylcyclohexylamine
Diethylcyclohexylamine
Cyclohexyldiethylamine
NSC 5313
N-Cyclohexyl-N,N-diethylamine
Identifiers:
SMILES:
CCN(CC)C1CCCCC1
InChI:
InChI=1S/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
Key Properties
Boiling Point
193 °C
CAS Common Chemistry
Melting Point
172 °C
CAS Common Chemistry
Density
0.84 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.29 g/mol | CAS Common Chemistry |
| 155.28499999999997 g/mol | RDKit | |
| 155.167399672 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8445 g/cm3 @ Temp: 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 |
| LogP | 2.6609000000000007 | RDKit |
| Molar Refractivity | 49.79400000000003 | RDKit |
