Ethyl 6-Aminoindole-7-carboxylate - CAS 174311-79-6

Catalog:	BB013003
Product Name:	Ethyl 6-Aminoindole-7-carboxylate
CAS:	174311-79-6
Synonyms:	6-amino-1H-indole-7-carboxylic acid ethyl ester; ethyl 6-amino-1H-indole-7-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 6-amino-1H-indole-7-carboxylate
Description:	Ethyl 6-Aminoindole-7-carboxylate (CAS# 174311-79-6) is a useful research chemical compound.
Molecular Weight:	204.23
Molecular Formula:	C11H12N2O2
Canonical SMILES:	CCOC(=O)C1=C(C=CC2=C1NC=C2)N
InChI:	InChI=1S/C11H12N2O2/c1-2-15-11(14)9-8(12)4-3-7-5-6-13-10(7)9/h3-6,13H,2,12H2,1H3
InChI Key:	URJOBQJGQMZSTN-UHFFFAOYSA-N
Boiling Point:	400.122 °C at 760 mmHg
Density:	1.288 g/cm³
LogP:	2.50800

Publication Number	Title	Priority Date
US-2012309758-A1	Modulators of atp-binding cassette transporters	20101210
US-8802700-B2	Modulators of ATP-Binding Cassette transporters	20101210
AU-2010327993-A1	4-oxo-1H-quinoline-3-carboxamides as modulators of ATP-Binding cassette transporters	20091211
EP-2509954-A1	4 -oxo- 1h -quinoline- 3 - carboxamides as modulators of atp -binding cassette transporters	20091211
JP-2013513617-A	4-oxo-1H-quinoline-3-carboxamide as modulator of ATP-binding cassette transporter	20091211

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Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.08987763
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	204.08987763
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1