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Molecule
2-(Cyclohexylamino)Ethanol
CAS: 2842-38-8 · C8H17NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2842-38-8
- Molecular Formula
- C8H17NO
- Molecular Mass
- 143.23 g/mol
Identifiers
CAS Registry Number
2842-38-8
SMILES
OCCNC1CCCCC1
InChI Key
MGUMZJAQENFQKN-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2
Names and Synonyms
- 2-(Cyclohexylamino)Ethanol Systematic Name
- Ethanol, 2-(cyclohexylamino)- Synonym
- 2-(Cyclohexylamino)ethanol Synonym
- N-(2-Hydroxyethyl)cyclohexylamine Synonym
- N-Cyclohexylaminoethanol Synonym
- N-Cyclohexylethanolamine Synonym
- N-Cyclohexyl-1-aminoethan-2-ol Synonym
- N-(2-Hydroxyethyl)-N-cyclohexylamine Synonym
- N-Cyclohexyl-2-hydroxyethylamine Synonym
- 2-(N-Cyclohexylamino)ethanol Synonym
- Cyclohexyl(2-hydroxyethyl)amine Synonym
- NSC 1505 Synonym
- 2-(Cyclohexylamino)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.23 g/mol | CAS Common Chemistry |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9811 g/cm3 @ 25 °C | 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 |
| 0.901 | RDKit | |
| Molar Refractivity | 41.961500000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.131014164 g/mol | RDKit |
| Boiling Point | 234-236 °C @ 762 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 143.23 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H17NO.
