Indole-3-acetaldehyde

C₁₀H₉NOCAS 2591-98-2159.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₉NO
Molar mass: 159.19 g/mol
Exact mass: 159.0684 Da
Boiling point: 120 °C (at NaN Torr)
logP: 1.91Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2591-98-2

SMILES

O=CCc1c[nH]c2ccccc12

InChIKey

WHOOUMGHGSPMGR-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2

Weigh it out

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Names and synonyms

5 names

1H-Indole-3-acetaldehyde
Tryptaldehyde
Indol-3-ylacetaldehyde
2-(3-Indolyl)acetaldehyde
2-(1H-Indol-3-yl)acetaldehyde

Work with Indole-3-acetaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3′-Diindolylmethane1968-05-460 % similar Indole-3-carbinol700-06-155 % similar 3-(2-Bromoethyl)indole3389-21-753 % similar Tryptophol526-55-653 % similar Tryptamine61-54-153 % similar Indole-3-acetonitrile771-51-751 % similar Indole-3-acetone1201-26-950 % similar (+-)-Alpha-Methyltryptamine299-26-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 3-Methylquinoline N-oxide1873-55-8 1-Methylindole-3-carboxaldehyde19012-03-4 1-Isoquinolinemethanol27311-63-3 1-Amino-2-naphthol2834-92-6 4-Methoxycinnamonitrile28446-68-6

Elsewhere

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