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Molecule
Valpromide
CAS: 2430-27-5 · C8H17NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2430-27-5
- Molecular Formula
- C8H17NO
- Molecular Mass
- 143.23 g/mol
Identifiers
CAS Registry Number
2430-27-5
SMILES
CCCC(CCC)C(=N)O
InChI Key
OMOMUFTZPTXCHP-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
Names and Synonyms
- Valpromide Synonym
- Pentanamide, 2-propyl- Synonym
- Valeramide, 2-propyl- Synonym
- 2-Propylpentanamide Synonym
- Depamide Synonym
- 2-Propylvaleramide Synonym
- α-Propylvaleramide Synonym
- 2-Propylpentamide Synonym
- Depamid Synonym
- Dipropylacetamide Synonym
- Di-n-propylacetamide Synonym
- Valpromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.23 g/mol | CAS Common Chemistry |
| 143.23000000000002 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Valpromide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=OMOMUFTZPTXCHP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125 °C | CAS Common Chemistry |
| Name | Valpromide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 2.7380700000000004 | RDKit |
| 2.7381 | RDKit | |
| Molar Refractivity | 43.661500000000004 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 |
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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MW = 143.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H17NO.
