Methyl 6-Amino-4-indolecarboxylate - CAS 103956-00-9
Catalog: |
BB001269 |
Product Name: |
Methyl 6-Amino-4-indolecarboxylate |
CAS: |
103956-00-9 |
Synonyms: |
6-amino-1H-indole-4-carboxylic acid methyl ester; methyl 6-amino-1H-indole-4-carboxylate |
IUPAC Name: | methyl 6-amino-1H-indole-4-carboxylate |
Description: | Methyl 6-Amino-4-indolecarboxylate (CAS# 103956-00-9) is a useful research chemical. |
Molecular Weight: | 190.20 |
Molecular Formula: | C10H10N2O2 |
Canonical SMILES: | COC(=O)C1=CC(=CC2=C1C=CN2)N |
InChI: | InChI=1S/C10H10N2O2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,11H2,1H3 |
InChI Key: | PKIUHYJRVJSXEX-UHFFFAOYSA-N |
Boiling Point: | 429.8 ℃ at 760 mmHg |
Density: | 1.339 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD03094986 |
LogP: | 2.11790 |
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-2020252240-A1 | Compounds and compositions for treating conditions associated with sting activity | 20190614 |
WO-2019053617-A1 | CHEMICAL COMPOUNDS | 20170912 |
WO-2017153952-A1 | 5-sulfamoyl-2-hydroxybenzamide derivatives | 20160310 |
CA-2943815-A1 | Substituted indole mcl-1 inhibitors | 20140327 |
EP-3122353-A1 | Substituted indole mcl-1 inhibitors | 20140327 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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