Valproic acid
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Density
- 0.904 g/mL (at 25 °C)
- Melting point
- 25 °C
- Boiling point
- 221–222 °C
- logP
- 2.29Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Identifiers
CAS number
99-66-1SMILES
CCCC(CCC)C(=O)OInChIKey
NIJJYAXOARWZEE-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
19 names · show all
- Pentanoic acid, 2-propyl-
- Valeric acid, 2-propyl-
- 2-Propylpentanoic acid
- Acetic acid, dipropyl-
- Dipropylacetic acid
- 2-Propylvaleric acid
- n-Dipropylacetic acid
- DPA
- 4-Heptanecarboxylic acid
- Depakine
- Ergenyl
- Mylproin
- 44089
- NSC 93819
- Depakine-chrono
- Stavzor
- 2,2-Di-n-propylacetic acid
- Valcote
- Sigma V 0033000
Work with Valproic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Hexyldecanoic acid25354-97-669 % similar
(Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-068 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-767 % similar
1,4-Cyclohexanedicarboxylic acid619-81-867 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-967 % similar
D-Norvaline2013-12-965 % similar
Norvaline6600-40-465 % similar
(±)-Norvaline760-78-165 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds