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Molecule
Cyclohexylformamide
CAS: 766-93-8 · C7H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 766-93-8
- Molecular Formula
- C7H13NO
- Molecular Mass
- 127.19 g/mol
Identifiers
CAS Registry Number
766-93-8
SMILES
OC=NC1CCCCC1
InChI Key
SWGXDLRCJNEEGZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
Names and Synonyms
- Cyclohexylformamide Synonym
- Formamide, N-cyclohexyl- Synonym
- N-Cyclohexylformamide Synonym
- Cyclohexylformamide Synonym
- Formamidocyclohexane Synonym
- N-Formylcyclohexylamine Synonym
- NSC 76127 Synonym
- Formylaminocyclohexane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.19 g/mol | CAS Common Chemistry |
| 127.18700000000001 g/mol | RDKit | |
| 127.187 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0123 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Boiling Point | 260 °C | CAS Common Chemistry |
| Canonical SMILES | O=CNC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=SWGXDLRCJNEEGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 39.5 °C | CAS Common Chemistry |
| Name | Cyclohexylformamide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.9054 | RDKit |
| 1.78 | chempirical lib | |
| Molar Refractivity | 37.99380000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 127.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 127.19 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H13NO.
