Indole-3-butyric acid potassium salt

C₁₂H₁₂KNO₂CAS 60096-23-3241.33 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₂H₁₂KNO₂
Molar mass: 241.33 g/mol
Exact mass: 241.0505 Da
logP: -1.76Crippen estimate
Polar surface area: 55.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

60096-23-3

SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]

InChIKey

KTWDHJYSJOSTSJ-UHFFFAOYSA-M

InChI

InChI=1S/C12H13NO2.K/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);/q;+1/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Indole-3-butyric acid potassium salt

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Indole-3-butyric acid133-32-4Free acid

Similar compounds

3-Indolylacetic acid potassium salt2338-19-473 % similar 1H-Indole-3-propanoic acid830-96-652 % similar Sodium phenylbutyrate1716-12-751 % similar Indole-3-propanol3569-21-950 % similar Indole-3-acetone1201-26-947 % similar Indole-3-acetic acid87-51-447 % similar 3,3′-Diindolylmethane1968-05-446 % similar Methyltryptamine61-49-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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