Back to Search
2-(Cyclohexylamino)Ethanol
CAS: 2842-38-8 | C8H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2842-38-8
Molecular Formula:
C8H17NO
Molecular Weight:
143.23 g/mol
Names and Synonyms:
2-(Cyclohexylamino)Ethanol
2-(Cyclohexylamino)ethan-1-ol
NSC 1505
Cyclohexyl(2-hydroxyethyl)amine
2-(N-Cyclohexylamino)ethanol
N-Cyclohexyl-2-hydroxyethylamine
N-(2-Hydroxyethyl)-N-cyclohexylamine
N-Cyclohexyl-1-aminoethan-2-ol
N-Cyclohexylethanolamine
N-Cyclohexylaminoethanol
N-(2-Hydroxyethyl)cyclohexylamine
2-(Cyclohexylamino)ethanol
Ethanol, 2-(cyclohexylamino)-
Identifiers:
SMILES:
OCCNC1CCCCC1
InChI:
InChI=1S/C8H17NO/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.23 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.131014164 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.26 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9009999999999998 | RDKit |
| molecular_mass | 143.23 g/mol | Legacy Database |
| density | 0.98 g/cm³ | Legacy Database |
| cas-boiling-point | 234-236 °C @ Press: 762 Torr None | Legacy Database |
| cas-canonical-smile | OCCNC1CCCCC1 None | Legacy Database |
| cas-density | 0.9811 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H17NO/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MGUMZJAQENFQKN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 40-41 °C None | Legacy Database |
| cas-name | 2-(Cyclohexylamino)ethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.961500000000015 | RDKit |
