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Valpromide
CAS: 2430-27-5 | C8H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2430-27-5
Molecular Formula:
C8H17NO
Molecular Weight:
143.23000000000002 g/mol
Names and Synonyms:
Valpromide
Pentanamide, 2-propyl-
Valeramide, 2-propyl-
2-Propylpentanamide
Depamide
2-Propylvaleramide
α-Propylvaleramide
2-Propylpentamide
Depamid
Dipropylacetamide
Di-n-propylacetamide
Valpromide
Identifiers:
SMILES:
CCCC(CCC)C(=N)O
InChI:
InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 143.23 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Valpromide None | Legacy Database |
| cas-canonical-smile | O=C(N)C(CCC)CCC None | Legacy Database |
| cas-inchi | InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=OMOMUFTZPTXCHP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 125 °C None | Legacy Database |
| cas-name | Valpromide None | Legacy Database |
| wikipedia-name | Valpromide None | Legacy Database |
| LogP | 2.7380700000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.23000000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.131014164 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.08 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.661500000000004 | RDKit |
