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| Other Sizes |
| Additional Infomation |
Indole-3-acetonitrile is a nitrile compound with the structure acetonitrile molecule, in which one methyl hydrogen atom is replaced by a 1H-indole-3-yl group. It has multiple functions, including acting as an auxin, plant hormone, plant metabolite, and exogenous metabolite in humans. It belongs to the nitrile class and is one of the indole classes. Its function is related to acetonitrile. 3-Indoleacetonitrile has been reported to exist in sow thistle (Rorippa dubia), cabbage (Brassica oleracea), and other organisms with relevant data.
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| Molecular Formula |
C₁₀H₈N₂
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| Molecular Weight |
156.18
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| Exact Mass |
156.068
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| CAS # |
771-51-7
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| PubChem CID |
351795
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| Appearance |
Light yellow to light brown solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
374.1±17.0 °C at 760 mmHg
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| Melting Point |
33-36 °C(lit.)
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| Flash Point |
127.6±6.1 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.673
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| LogP |
1.37
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
203
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
DMCPFOBLJMLSNX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
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| Chemical Name |
2-(1H-indol-3-yl)acetonitrile
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| Synonyms |
3Indoleacetonitrile; 3 Indoleacetonitrile
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~640.29 mM)
H2O : ~1 mg/mL (~6.40 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.01 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (16.01 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (16.01 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4029 mL | 32.0143 mL | 64.0287 mL | |
| 5 mM | 1.2806 mL | 6.4029 mL | 12.8057 mL | |
| 10 mM | 0.6403 mL | 3.2014 mL | 6.4029 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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