Ethyl 3-(3-Aminophenyl)propionate - CAS 10039-64-2

Catalog:	BB000214
Product Name:	Ethyl 3-(3-Aminophenyl)propionate
CAS:	10039-64-2
Synonyms:	3-(3-aminophenyl)propanoic acid ethyl ester; ethyl 3-(3-aminophenyl)propanoate

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Computed Properties

IUPAC Name:	ethyl 3-(3-aminophenyl)propanoate
Description:	Ethyl 3-(3-Aminophenyl)propionate (CAS# 10039-64-2 ) is a useful research chemical.
Molecular Weight:	193.24
Molecular Formula:	C11H15NO2
Canonical SMILES:	CCOC(=O)CCC1=CC(=CC=C1)N
InChI:	InChI=1S/C11H15NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7,12H2,1H3
InChI Key:	CUNKFKQHEJGIIB-UHFFFAOYSA-N
LogP:	2.34570

Publication Number	Title	Priority Date
WO-2019057969-A1	DOUBLE AGONISTS OF FXR AND PPARÎ´, AND USES THEREOF	20170922
CA-2932482-A1	Aryl- and hetaryl-substituted imidazo[1,2-a]pyridine-3-carboxamides and use thereof	20131205
EP-3077394-A1	Aryl- and hetaryl-substituted imidazo[1,2-a]pyridine-3-carboxamides and use thereof	20131205
JP-2016539166-A	Aryl- and heteroaryl substituted imidazo [1,2-a] pyridine-3-carboxamides and uses thereof	20131205
US-2016362408-A1	Aryl- and hetaryl-substituted imidazo[1,2-a]pyridine-3-carboxamides and use thereof	20131205

PMID	Publication Date	Title	Journal
21989585	20111201	Short synthesis of ethyl 3-(3-aminophenyl)propanoate	Archiv der Pharmazie

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Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.110278721
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.110278721
Rotatable Bond Count:	5
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2