6-Methylindole - CAS 3420-02-8
Catalog: |
BB022001 |
Product Name: |
6-Methylindole |
CAS: |
3420-02-8 |
Synonyms: |
6-methyl-1H-indole |
IUPAC Name: | 6-methyl-1H-indole |
Description: | 6-Methylindole (CAS# 3420-02-8) is a useful research chemical. |
Molecular Weight: | 131.17 |
Molecular Formula: | C9H9N |
Canonical SMILES: | CC1=CC2=C(C=C1)C=CN2 |
InChI: | InChI=1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3 |
InChI Key: | ONYNOPPOVKYGRS-UHFFFAOYSA-N |
Boiling Point: | 112 °C (5 mmHg) |
Melting Point: | 29-32 °C |
Purity: | 95 % |
Density: | 1.059 g/cm3 |
Appearance: | Clear yellow to light brown liquid after melting |
Storage: | 0-6 °C |
MDL: | MFCD00005682 |
LogP: | 2.47630 |
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 |
Publication Number | Title | Priority Date |
WO-2021127561-A1 | Isoindolinone and indazole compounds for the degradation of egfr | 20191220 |
WO-2021101854-A1 | Compounds and methods of preparing compounds s1p1 modulators | 20191119 |
CN-110698474-A | Alpha-substituted tetrahydro-gamma-carboline compound and preparation method and application thereof | 20191114 |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
WO-2021072487-A1 | Sulfonamide compounds and the use thereof in the treatment of cancer | 20191015 |
PMID | Publication Date | Title | Journal |
31201936 | 20191001 | Mono-methylindoles induce CYP1A genes and inhibit CYP1A1 enzyme activity in human hepatocytes and HepaRG cells | Toxicology letters |
20386699 | 20100408 | An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants | PloS one |
21581016 | 20081022 | 2,2,9-Trimethyl-2,3-dihydro-pyrano[2,3-a]carbazol-4-(11H)-one | Acta crystallographica. Section E, Structure reports online |
12723622 | 20030301 | Total synthesis of 0231B, an inhibitor of 3alpha-hydroxysteroid dehydrogenase produced by Streptomyces sp. HKI0231 | Bioscience, biotechnology, and biochemistry |
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: | 3.3 |
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