1-(7-Amino-2-methyl-1-benzofuran-3-yl)ethanone - CAS 174186-83-5

Catalog:	BB075605
Product Name:	1-(7-Amino-2-methyl-1-benzofuran-3-yl)ethanone
CAS:	174186-83-5
Synonyms:	1-(7-amino-2-methyl-1-benzofuran-3-yl)ethanone; 1-(7-AMINO-2-METHYLBENZOFURAN-3-YL)ETHANONE; 3-acetyl-7-amino-2-methylbenzo[b]furan

Technical Data

IUPAC Name:	1-(7-amino-2-methyl-1-benzofuran-3-yl)ethanone
Description:	1-(7-Amino-2-methyl-1-benzofuran-3-yl)ethanone can be used as inhibitors of bone resorption.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	CC1=C(C2=C(O1)C(=CC=C2)N)C(=O)C
InChI:	InChI=1S/C11H11NO2/c1-6(13)10-7(2)14-11-8(10)4-3-5-9(11)12/h3-5H,12H2,1-2H3
InChI Key:	XBLZTPCIFSJUOL-UHFFFAOYSA-N
Melting Point:	108 - 111oC
Solubility:	Acetonitrile (Slightly), DMSO (Slightly)
Appearance:	Light Beige to Beige Solid
Storage:	-20°C
References:	Kawai, Y., et.al. PCT Int. Appl., 188, (1995).

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7