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

• ChemBase编号: 132818
• 分子式: C12H13KNO2
• 平均质量: 242.33542
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 4-(1H-indol-3-yl)butanoic acid potassium
• IUPAC传统名: 3-indolebutyric acid potassium
• 别名: 吲哚-3-丁酸 钾盐; 4-(3-Indolyl)butanoic acid; IBA; Indole-3-butyric acid potassium salt

登记号

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

理论计算性质

• Acid pKa: 4.861798
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.8713305
• LogD (pH = 7.4): 0.10162935
• Log P: 2.5988934
• 摩尔折射率: 57.6541 cm^3
• 极化性: 23.4133 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 适用性: plant cell culture tested

详细说明

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.