4-(1H-indol-3-yl)butanoic acid potassium

• ChemBase ID: 132818
• Molecular Formular: C12H13KNO2
• Molecular Mass: 242.33542
• Monoisotopic Mass: 242.05833534
• SMILES: c1ccc2c(c1)c(c[nH]2)CCCC(=O)O.[K]
• Canonical SMILES: OC(=O)CCCc1c[nH]c2c1cccc2.[K]
• 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)
• InChIKey: XREFHSVFKSWTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-indol-3-yl)butanoic acid potassium
• IUPAC Traditional name: 3-indolebutyric acid potassium
• Synonyms: 4-(3-Indolyl)butanoic acid; IBA; Indole-3-butyric acid potassium salt; 吲哚-3-丁酸 钾盐

Database IDs

• CAS Number: 60096-23-3
• MDL Number: MFCD00058442
• PubChem SID: 162227095; 24896117
• PubChem CID: 16219528

CALCULATED PROPERTIES

• Acid pKa: 4.861798
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8713305
• LogD (pH = 7.4): 0.10162935
• Log P: 2.5988934
• Molar Refractivity: 57.6541 cm^3
• Polarizability: 23.4133 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Suitability: plant cell culture tested

DETAILS

Sigma Aldrich - I7512

Application
Indole-3-butyric acid (IBA) is auxin-family plant hormone. IBA is 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 most potent native auxin.