Basic information
- CAS
1892-21-3- Standard SMILES
O=CCc1c[nH]c2ccc(O)cc12- InChIKey
OBFAPCIUSYHFIE-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Overview
(5-hydroxyindol-3-yl)acetaldehyde is an aldehyde that is acetaldehyde substituted by a 5-hydroxyindol-3-yl group. It has a role as a mouse metabolite and a human metabolite. It is an indoleacetaldehyde and a member of hydroxyindoles.
Names & identifiers
- Preferred name
- 5-Hydroxy-1H-indole-3-acetaldehyde
- IUPAC
- 2-(5-hydroxy-1H-indol-3-yl)acetaldehyde
- English name
- 2-(5-hydroxy-1H-indol-3-yl)acetaldehyde
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
1892-21-35-HialHydroxyindoleacetaldehyde1H-INDOLE-3-ACETALDEHYDE, 5-HYDROXY-5-hydroxy-1H-Indole-3-acetaldehydeDAE26MT2UKDTXSID60172318RefChem:913403DTXCID60948095-Hydroxyindole-3-acetaldehyde2-(5-hydroxy-1H-indol-3-yl)acetaldehyde5-Hydroxyindoleacetaldehyde
Show more names
(5-hydroxyindol-3-yl)acetaldehyde5-hydroxyindole acetaldehyde(5-Hydroxy-1H-indol-3-yl)acetaldehydeIndole-3-acetaldehyde, 5-hydroxy-5-HydroxytryptaldehydeOBFAPCIUSYHFIE-UHFFFAOYSA-NUNII-DAE26MT2UK5-Hydroxyindolylacetaldehyde
Database identifiers
- CAS
1892-21-3- PubChem CID
- 74688
- DTXSID
DTXSID60172318- ChEBI
CHEBI:50157- UNII
- DAE26MT2UK
- Nikkaji
- J139.626I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 432 · 432.0±30.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 9.93 · 9.93±0.40(Predicted)
- FDA UNII
- 26 MT2UK · DAE26MT2UK
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism
Applications
Uses5-Hydroxyindole-3-acetaldehyde is a metabolite of Nω-methylserotonin, a constituent of black cohosh root.
Suppliers6 total
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Additional notes
DefinitionChEBI: (5-hydroxyindol-3-yl)acetaldehyde is an aldehyde that is acetaldehyde substituted by a 5-hydroxyindol-3-yl group. It has a role as a mouse metabolite and a human metabolite. It is a member of hydroxyindoles and an indoleacetaldehyde.
Related reactions
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Compound notes
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