Indole-3-acetaldehyde
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Indole-3-acetaldehyde
structure -
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CAS No:
2591-98-2
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Formula:
C10H9NO
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Chemical Name:
Indole-3-acetaldehyde
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Synonyms:
1H-Indole-3-acetaldehyde;Indole-3-acetaldehyde;Tryptaldehyde;Indol-3-ylacetaldehyde;2-(3-Indolyl)acetaldehyde;2-(1H-Indol-3-yl)acetaldehyde
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CAS No:
Description
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.
Solid
Indol-3-ylacetaldehyde is 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. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, a bacterial metabolite and a mouse metabolite.
Characteristics
32.9
1.70
Solid
1.2±0.1 g/cm3
120 °C @ Press: 10-15 Torr
174.9±28.4 °C
1.652
3.78E-05mmHg at 25°C
132.3 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|130.7 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Computed Properties
Molecular Weight:159.18
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:32.9
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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