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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 Mass:
143.23 g/mol
Names and Synonyms:
2-(Cyclohexylamino)Ethanol
Ethanol, 2-(cyclohexylamino)-
2-(Cyclohexylamino)ethanol
N-(2-Hydroxyethyl)cyclohexylamine
N-Cyclohexylaminoethanol
N-Cyclohexylethanolamine
N-Cyclohexyl-1-aminoethan-2-ol
N-(2-Hydroxyethyl)-N-cyclohexylamine
N-Cyclohexyl-2-hydroxyethylamine
2-(N-Cyclohexylamino)ethanol
Cyclohexyl(2-hydroxyethyl)amine
NSC 1505
2-(Cyclohexylamino)ethan-1-ol
Identifiers:
SMILES:
OCCNC1CCCCC1
InChI:
InChI=1S/C8H17NO/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2
Key Properties
Boiling Point
234-236 °C @ Press: 762 Torr
CAS Common Chemistry
Melting Point
40-41 °C
CAS Common Chemistry
Density
0.98 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 | 143.23 g/mol | CAS Common Chemistry |
| 143.131014164 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9811 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 234-236 °C @ Press: 762 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCNC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H17NO/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MGUMZJAQENFQKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40-41 °C | CAS Common Chemistry |
| Name | 2-(Cyclohexylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.9009999999999998 | RDKit |
| Molar Refractivity | 41.961500000000015 | RDKit |
