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76584-70-8

Basic Information
CAS No.: 76584-70-8
Name: Pentanoic acid, 2-propyl-, sodium salt (2:1)
Molecular Structure:
Molecular Structure of 76584-70-8 (Pentanoic acid, 2-propyl-, sodium salt (2:1))
Formula: C16H31NaO4
Molecular Weight: 310.40
Synonyms: Pentanoic acid,2-propyl-, sodium salt (2:1);Abbott50711;Depakote;Epival;Sodium hydrogenbis(2-propylpentanoate);Sodium hydrogen bis(2-propylvalerate);Sodium hydrogendivalproate;Valdisoval;Valproate semisodium;
EINECS: 202-303-5
Density: N/A
Melting Point: 222 °C
Boiling Point: 220 °C at 760 mmHg
Flash Point: 116.6 °C
Solubility: N/A
Appearance: a white powder with a characteristic odor
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 77.43000
LogP: 3.24010
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Chemistry

Molecule structure of Pentanoic acid, 2-propyl-, sodium salt (2:1) (CAS NO.76584-70-8):

IUPAC Name: Sodium; 2-propylpentanoate; 2-propylpentanoic acid 
Molecular Weight: 310.40471 g/mol
Molecular Formula: C16H31NaO4 
Melting Point: 222 °C
Boiling Point: 220 °C at 760 mmHg
Flash Point: 116.6 °C
Enthalpy of Vaporization: 50.29 kJ/mol
Vapour Pressure: 0.0435 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 10
Exact Mass: 310.212004
MonoIsotopic Mass: 310.212004
Topological Polar Surface Area: 77.4
Heavy Atom Count: 21
Complexity: 192
Canonical SMILES: CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]
InChI: InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1
InChIKey: MSRILKIQRXUYCT-UHFFFAOYSA-M
Product Categories of Pentanoic acid, 2-propyl-, sodium salt (2:1) (CAS NO.76584-70-8): Valproic acid Series

Specification

 Pentanoic acid, 2-propyl-, sodium salt (2:1) (CAS NO.76584-70-8) is also named as Abbott 50711 ; Delepsine ; Depakote ; Depakote CP ; Depakote ER ; Divalproate ; Divalproex ; Divalproex sodium ; Epilex ; Epival ; Natrium hydrogen bis(2-propylvalerat) ; Sodium divalproate ; Sodium hydrogen bis(2-propylpentanoate) ; Sodium hydrogen bis(2-propylvalerate) ; Sodium hydrogen bis(2-propylvalerate), oligomer ; Sodium hydrogen divalproate ; Sprinkle ; UNII-644VL95AO6 ; Valcote ; Valdisoval ; Valparin ; Valproate semisodique ; Valproate semisodique [French] ; Valproate semisodium ; Valproato semisodico ; Valproato semisodico [Spanish] ; Valproatum seminatricum ; Valproatum seminatricum [Latin] ; Valproic acid semisodium salt (2:1) .