Ethyl 5-Amino-1-methylindole-2-carboxylate - CAS 71056-58-1
Catalog: |
BB034298 |
Product Name: |
Ethyl 5-Amino-1-methylindole-2-carboxylate |
CAS: |
71056-58-1 |
Synonyms: |
5-amino-1-methyl-2-indolecarboxylic acid ethyl ester; ethyl 5-amino-1-methylindole-2-carboxylate |
IUPAC Name: | ethyl 5-amino-1-methylindole-2-carboxylate |
Description: | Ethyl 5-Amino-1-methylindole-2-carboxylate (CAS# 71056-58-1 ) is a useful research chemical. |
Molecular Weight: | 218.25 |
Molecular Formula: | C12H14N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1C)C=CC(=C2)N |
InChI: | InChI=1S/C12H14N2O2/c1-3-16-12(15)11-7-8-6-9(13)4-5-10(8)14(11)2/h4-7H,3,13H2,1-2H3 |
InChI Key: | WPRKJQVJYKGTLF-UHFFFAOYSA-N |
Boiling Point: | 404.8 ℃ at 760 mmHg |
Density: | 1.22 g/cm3 |
LogP: | 2.51840 |
Publication Number | Title | Priority Date |
KR-20210024983-A | Indole Carboxamide Derivative and Pharmaceutical Composition Comprising the Same | 20190826 |
WO-2021040393-A1 | Indole carboxamide derivative and pharmaceutical composition containing same | 20190826 |
TW-201945355-A | Condensed cyclic urea derivatives as CRHR2 antagonists | 20180409 |
WO-2019198692-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
CN-111868037-A | Fused cyclic urea derivatives as CRHR2 antagonists | 20180409 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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