Indole-3-butyric acid potassium salt - ≥95% , CAS No.60096-23-3

CAS: 60096-23-3 Cat. No.: I185489 Molecular Weight: 241.3 EC Number: 691-783-3

GRADE & PURITY ≥95%

Synonyms

Indole-3-butyric acid potassium salt | Indole-3-butyric acid, potassium salt | SY033643 | indole-3-butyric acid-potassium salt | AS-16118 | potassium;4-(1H-indol-3-yl)butanoate | 4-indol-3-ylbutanoic acid, potassium salt | INDOLE-3-BUTYRIC ACID POTASSIUM

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Indole-3-butyric acid potassium salt | Indole-3-butyric acid, potassium salt | SY033643 | indole-3-butyric acid-potassium salt | AS-16118 | potassium;4-(1H-indol-3-yl)butanoate | 4-indol-3-ylbutanoic acid, potassium salt | INDOLE-3-BUTYRIC ACID POTASSIUM

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Water soluble auxin-family plant hormone. Thought to be a precursor of indole-3-acetic acid (IAA) the most abundant and the basic auxin natively occurring and functioning in plants. IAA generates the majority of auxin effects in intact plants, and is the

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769491
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769491
• Canonical Smiles: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]
• IUPAC Name: potassium;4-(1H-indol-3-yl)butanoate
• InChIKey: KTWDHJYSJOSTSJ-UHFFFAOYSA-M
• 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
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]
• Molecular Weight: 241.3
• Reaxy-Rn: 31520089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31520089&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic potassium salt - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 241.330 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.051 Da
• Monoisotopic Mass: 241.051 Da
• Topological Polar Surface Area: 55.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 235.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Tan Chao, Li Suxin, Song Jia, Zheng Xianfu, Zheng Hao, Xu Weichang, Wan Cui, Zhang Tan, Bian Qiang, Men Shuzhen.  (2024)  3,4-Dichlorophenylacetic acid acts as an auxin analog and induces beneficial effects in various crops.  Communications Biology,  7  (1): (1-14).  [PMID:38332111] [10.1038/s42003-024-05848-9]