2,5-Dimethylindole - CAS 1196-79-8
Catalog: |
BB004576 |
Product Name: |
2,5-Dimethylindole |
CAS: |
1196-79-8 |
Synonyms: |
2,5-dimethyl-1H-indole |
IUPAC Name: | 2,5-dimethyl-1H-indole |
Description: | 2,5-Dimethylindole (CAS# 1196-79-8) is a useful research chemical. |
Molecular Weight: | 145.20 |
Molecular Formula: | C10H11N |
Canonical SMILES: | CC1=CC2=C(C=C1)NC(=C2)C |
InChI: | InChI=1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3 |
InChI Key: | ZFLFWZRPMDXJCW-UHFFFAOYSA-N |
Boiling Point: | 281.5 °C at 760 mmHg |
Melting Point: | 112-113 °C |
Purity: | > 97.0 % (GC) |
Density: | 1.08 g/cm3 |
Appearance: | Off-white to pale pink or light brown solid |
Storage: | Keep tightly closed. Store in a cool dry place. |
MDL: | MFCD00005621 |
LogP: | 2.78470 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111638106-A | Dry chemical analysis quality control substance for urine | 20200609 |
US-2021301175-A1 | Polishing composition | 20200330 |
WO-2021072487-A1 | Sulfonamide compounds and the use thereof in the treatment of cancer | 20191015 |
WO-2021016191-A1 | C17 polar-substituted heteroaromatic synthetic triterpenoids and methods of use thereof | 20190719 |
WO-2020227180-A1 | Sulfur and amide tropolone inhibitors of nucleotidyl transferases and uses therefor | 20190503 |
PMID | Publication Date | Title | Journal |
16258625 | 20051101 | Indole ring oxidation by activated leukocytes prevents the production of hypochlorous acid | Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.089149355 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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