7-Methylindole - CAS 933-67-5
Catalog: |
BB040860 |
Product Name: |
7-Methylindole |
CAS: |
933-67-5 |
Synonyms: |
7-methyl-1H-indole |
IUPAC Name: | 7-methyl-1H-indole |
Description: | 7-Methylindole (CAS# 933-67-5) is an intermediate for the synthesis of Mugineic Acid Ammonium Salt (M792005). Mugineic Acid, a possible phytosiderophore of graminaceous plants, has iron chelation potency and antioxidant activity. |
Molecular Weight: | 131.17 |
Molecular Formula: | C9H9N |
Canonical SMILES: | CC1=CC=CC2=C1NC=C2 |
InChI: | InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3 |
InChI Key: | KGWPHCDTOLQQEP-UHFFFAOYSA-N |
Boiling Point: | 266 °C |
Purity: | 98 % |
Appearance: | Very faintly beige fine plates |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00005684 |
LogP: | 2.47630 |
Vapor Pressure: | 0.00603 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
32092453 | 20200515 | Differential activation of human pregnane X receptor PXR by isomeric mono-methylated indoles in intestinal and hepatic in vitro models | Toxicology letters |
31201936 | 20191001 | Mono-methylindoles induce CYP1A genes and inhibit CYP1A1 enzyme activity in human hepatocytes and HepaRG cells | Toxicology letters |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
20386699 | 20100408 | An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants | PloS one |
19920894 | 20090206 | Induction of cytotoxicity, apoptosis and cell cycle arrest by 1-t-butyl carbamoyl, 7-methyl-indole-3-ethyl isothiocyanate (NB7M) in nervous system cancer cells | Drug design, development and therapy |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 131.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.073499291 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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