3-Indolebutyric acid (IBA)
Category:
CAS:
Description:
3-Indolebutyric acid(IBA) is a plant hormone in the auxin family and is an ingredient in many commercial plant rooting horticultural products.
| CID | 8617 |
| Deprecated CAS | 111150-79-9, 65216-51-5 |
| Synonyms | 4-Indol-3-ylbutyric acid; Indolbutyric acid; Hormodin; NSC 3130; NSC3130; NSC-3130; Indole-3-butyric acid; Seradix; 4-(Indol-3-yl)butyric acid |
| IUPAC Name | 4-(1H-indol-3-yl)butanoic acid |
| Molecular Weight | 203.24 |
| Molecular Formula | C12H13NO2 |
| Canonical SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O |
| InChI | InChI=1S/C12H13NO2/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 | JTEDVYBZBROSJT-UHFFFAOYSA-N |
| EC Number | 205-101-5 |
| UNII | 061SKE27JP |
Producut details
| Grade | 98%TC |
| Appearance | White to Off-White Solid |
| Boiling Point | 426.56°C at 760 mmHg |
| Melting Point | 116-118°C |
| Flash Point | 211.8°C |
| Water | In water, 250 mg/L at20 °C |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Purity | >98% |
| Density | 1.25 g/cm3 |
| Solubility | Soluble in DMSO (Slightly), Methanol (Slightly) |
| Storage | Store at 2-8°C |
| Complexity | 230 |
| Exact Mass | 203.094628657 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Monoisotopic Mass | 203.094628657 |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.1 |
| XLogP3 | 2.3 |
QC Data
Our products are chemical reagents for research use only and are not intended for human use.
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