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Sodium Valproate
CAS: 1069-66-5 | C8H16NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1069-66-5
Molecular Formula:
C8H16NaO2
Molecular Mass:
167.20 g/mol
Names and Synonyms:
Sodium Valproate
Pentanoic acid, 2-propyl-, sodium salt (1:1)
Valeric acid, 2-propyl-, sodium salt
Pentanoic acid, 2-propyl-, sodium salt
Sodium dipropylacetate
Sodium α,α-dipropylacetate
Sodium bispropylacetate
Sodium valproate
Dipropylacetate sodium
Valproate sodium
Sodium 2-propylpentanoate
Epilim
Sodium 2-propylvalerate
Convulex
Orfiril
Valerin
KW 6066N
Depakene
Acediprol
Depakene syrup 8
Depakin
Depacon
Depakine chronosphere
Selenica R
Depakene R
Valpron
Vupral
Micropakine LP
Valproic acid sodium salt
VPA
Encorate
Identifiers:
SMILES:
CCCC(CCC)C(=O)O.[Na]
InChI:
InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Key Properties
Density
1.08 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.20 g/mol | CAS Common Chemistry |
| 167.204 g/mol | RDKit | |
| 167.104799032 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0803 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=C(O)C(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=RGZUPIWJTSGERU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium valproate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9066 | RDKit |
| Molar Refractivity | 46.69580000000002 | RDKit |
