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Molecule
N-(4-Hydroxycyclohexyl)Acetamide
CAS: 23363-88-4 · C8H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23363-88-4
- Molecular Formula
- C8H15NO2
- Molecular Mass
- 157.21 g/mol
Identifiers
CAS Registry Number
23363-88-4
SMILES
CC(O)=NC1CCC(O)CC1
InChI Key
HWAFCRWGGRVEQL-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7-8,11H,2-5H2,1H3,(H,9,10)
Names and Synonyms
- N-(4-Hydroxycyclohexyl)Acetamide Common Name
- Acetamide, N-(4-hydroxycyclohexyl)- Synonym
- N-(4-Hydroxycyclohexyl)acetamide Synonym
- 4-Acetamidocyclohexanol Synonym
- NSC 130812 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | N-(4-Hydroxycyclohexyl)acetamide | CAS Common Chemistry |
| Molecular Mass | 157.21 g/mol | CAS Common Chemistry |
| 157.21299999999997 g/mol | RDKit | |
| 157.213 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1CCC(O)CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7-8,11H,2-5H2,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=HWAFCRWGGRVEQL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135 °C | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 1.2663 | RDKit |
| Molar Refractivity | 44.00060000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 157.11027872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 157.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H15NO2.
