2-(1H-indol-3-yl)acetaldehyde
- CAS NO.：2591-98-2
- Empirical Formula: C10H9NO
- Molecular Weight: 159.18
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-27 16:27:43
What is 2-(1H-indol-3-yl)acetaldehyde?
Description
2-(1H-indol-3-yl)acetaldehyde is an indole acetaldehyde compound. It can be produced by substitution of the methyl hydrogen on the acetaldehyde by the indol-3-yl group. It is also an intermediate metabolite in the metabolism of tryptophan.
Chemical properties
Solid
The Uses of 2-(1H-indol-3-yl)acetaldehyde
Tryptaldehyde is used as plasma metabolite biomarker related to secondary hyperparathyroidism and parathyroid hormone.
Definition
ChEBI: An indoleacetaldehyde that is acetaldehyde in which one of the methyl hydrogens are replaced by a indol-3-yl group. It is an intermediate metabolite in the metabolism of tryptophan.
Properties of 2-(1H-indol-3-yl)acetaldehyde
| Boiling point: | 120 °C(Press: 10-15 Torr) |
| Density | 1.205±0.06 g/cm3(Predicted) |
| storage temp. | -20 ℃ |
| pka | 16.75±0.30(Predicted) |
| InChI | InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2 |
Safety information for 2-(1H-indol-3-yl)acetaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-(1H-indol-3-yl)acetaldehyde
| InChIKey | WHOOUMGHGSPMGR-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(CC=O)=C1 |
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