Ethyl 2-Methyl-1H-indole-3-acetate - CAS 21909-49-9
Catalog: |
BB017203 |
Product Name: |
Ethyl 2-Methyl-1H-indole-3-acetate |
CAS: |
21909-49-9 |
Synonyms: |
2-(2-methyl-1H-indol-3-yl)acetic acid ethyl ester; ethyl 2-(2-methyl-1H-indol-3-yl)acetate |
IUPAC Name: | ethyl 2-(2-methyl-1H-indol-3-yl)acetate |
Description: | Ethyl 2-Methyl-1H-indole-3-acetate (CAS# 21909-49-9) is a useful research chemical. |
Molecular Weight: | 217.26 |
Molecular Formula: | C13H15NO2 |
Canonical SMILES: | CCOC(=O)CC1=C(NC2=CC=CC=C21)C |
InChI: | InChI=1S/C13H15NO2/c1-3-16-13(15)8-11-9(2)14-12-7-5-4-6-10(11)12/h4-7,14H,3,8H2,1-2H3 |
InChI Key: | SLEXJGHKKHQSDC-UHFFFAOYSA-N |
Boiling Point: | 366.1 ℃ at 760 mmHg |
Density: | 1.158 g/cm3 |
MDL: | MFCD02093647 |
LogP: | 2.58190 |
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 |
EP-3305781-A1 | Chemical substances which inhibit the enzymatic activity of human kallikrein-related peptidase 6 (klk6) | 20161007 |
WO-2018065607-A1 | Chemical substances which inhibit the enzymatic activity of human kallikrein related peptidase 6 (klk6) | 20161007 |
AU-2014205315-A1 | Therapeutic compounds for the treatment of viral infections | 20130109 |
AU-2014205315-B2 | Therapeutic compounds for the treatment of viral infections | 20130109 |
EP-2943493-A1 | Therapeutic compounds for the treatment of viral infections | 20130109 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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