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

Technical Data

Patents

Computed Properties

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 °C 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

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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