Indole-3-carboxaldehyde - CAS 487-89-8
Catalog: |
BB026595 |
Product Name: |
Indole-3-carboxaldehyde |
CAS: |
487-89-8 |
Synonyms: |
1H-Indole-3-carboxaldehyde; 1H-Indol-3-yl carboxaldehyde; 1H-Indole-3-aldehyde; 1H-Indole-3-carbaldehyde; 1H-Indole-3-methanal; 3-Formyl-1H-indole; 3-Formylindole; 3-Indolylformaldehyde; Indole-3-aldehyde; Indole-3-carbaldehyde; Indole-3-carboxylaldehyde; Indole-3-formaldehyde; NSC 10118; β-Indolylaldehyde |
Related CAS: | 246045-99-8 (Deleted CAS)
|
IUPAC Name: | 1H-indole-3-carbaldehyde |
Description: | Indole-3-carboxaldehyde is a tryptophan metabolite from Streptomyces staurosporeus and it is a chemical constituent from Inula wissmanniana. Indole-3-carboxaldehyde and other tryptophan metabolites play an important role in mammalian gut immune homeostasis. |
Molecular Weight: | 145.16 |
Molecular Formula: | C9H7NO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN2)C=O |
InChI: | InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H |
InChI Key: | OLNJUISKUQQNIM-UHFFFAOYSA-N |
Boiling Point: | 339.1±15.0°C at 760 Torr |
Melting Point: | 194-200°C |
Purity: | ≥95% |
Density: | 1.278±0.06 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Light yellow to off white crystalline powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00005622 |
LogP: | 1.98040 |
Vapor Pressure: | 0.00043 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021125493-A1 | Microorganism comprising genetic modification that increases activity of multidrug transporter, and method for producing tryptophan metabolites by using same | 20191220 |
WO-2021127235-A1 | Compositions for modulating gut microflora populations, enhancing drug potency and treating cancer, and methods for making and using same | 20191220 |
WO-2021127302-A1 | 2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
WO-2021127701-A1 | Pet food compositions | 20191219 |
EP-3835432-A1 | Interleukin-4-induced gene 1 (il4i1) and respective metabolites as biomarkers for cancer | 20191210 |
PMID | Publication Date | Title | Journal |
25953104 | 20150701 | TRANSCRIPTION ACTIVATOR-LIKE EFFECTOR NUCLEASE-Mediated Generation and Metabolic Analysis of Camalexin-Deficient cyp71a12 cyp71a13 Double Knockout Lines | Plant physiology |
24103309 | 20140201 | Synthesis and antimycobacterial activity of novel thiadiazolylhydrazones of 1-substituted indole-3-carboxaldehydes | Chemical biology & drug design |
23035772 | 20121026 | Indiacens A and B: prenyl indoles from the myxobacterium Sandaracinus amylolyticus | Journal of natural products |
22990456 | 20120918 | Antitrypanosomal alkaloids from the marine bacterium Bacillus pumilus | Molecules (Basel, Switzerland) |
22516425 | 20120701 | Synthesis and characterization of some new complexes of Cu(II), Ni(II) and V(IV) with Schiff base derived from indole-3-carboxaldehyde. Biological activity on prokaryotes and eukaryotes | European journal of medicinal chemistry |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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