5-Aminobenzofuran - CAS 58546-89-7

Catalog:	BB030077
Product Name:	5-Aminobenzofuran
CAS:	58546-89-7
Synonyms:	5-benzofuranamine; 1-benzofuran-5-amine

Technical Data

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Computed Properties

IUPAC Name:	1-benzofuran-5-amine
Description:	5-Benzofuranamine is used as a reagent in preparation of substituted pyrimidines as multi-targeted receptor tyrosine kinase and microtubule inhibitors with a potential antitumor activity.
Molecular Weight:	133.15
Molecular Formula:	C8H7NO
Canonical SMILES:	C1=CC2=C(C=CO2)C=C1N
InChI:	InChI=1S/C8H7NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2
InChI Key:	GMOLCSICTCPZCU-UHFFFAOYSA-N
Boiling Point:	259.8 ℃ at 760 mmHg
Density:	1.225 g/cm³
LogP:	2.59620

Publication Number	Title	Priority Date
WO-2021093172-A1	Hbv inhibitor and use thereof	20191113
WO-2021086726-A1	Improved methods, kits, compositions and dosing regimens for the use of heterocyclic inhibitors of erk1 and erk2	20191028
WO-2021047677-A1	Irak4 kinase inhibitor and preparation thereof and use thereof	20190912
US-2021317102-A1	Inhibitors of integrated stress response pathway	20190612
CN-110092778-A	A method of using cheap metal copper for vilazodone intermediate and vilazodone drug	20190514

PMID	Publication Date	Title	Journal
22547662	20120701	Antistaphylococcal activity of DNA-interactive pyrrolobenzodiazepine (PBD) dimers and PBD-biaryl conjugates	The Journal of antimicrobial chemotherapy
7205883	19810201	Synthesis and antiarrhythmic activity of new benzofuran derivatives	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.052763847
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6