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Molecule
N,N-Dimethylhexanamide
CAS: 5830-30-8 · C8H17NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5830-30-8
- Molecular Formula
- C8H17NO
- Molecular Mass
- 143.23 g/mol
Identifiers
CAS Registry Number
5830-30-8
SMILES
CCCCCC(=O)N(C)C
InChI Key
OAERLTPBKQBWHJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3
Names and Synonyms
- N,N-Dimethylhexanamide Systematic Name
- Hexanamide, N,N-dimethyl- Synonym
- Caproamide, N,N-dimethyl- Synonym
- N,N-Dimethylhexanamide Synonym
- N,N-Dimethylcaproamide Synonym
- Avignasol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.23 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C)C)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OAERLTPBKQBWHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethylhexanamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.6549 | RDKit |
| Molar Refractivity | 42.83600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 143.131014164 g/mol | RDKit |
| Boiling Point | 123 °C @ 25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
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MW = 143.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H17NO.
