7-Bromochroman-4-amine - CAS 1016804-06-0

Catalog:	BB000600
Product Name:	7-Bromochroman-4-amine
CAS:	1016804-06-0
Synonyms:	7-bromo-3,4-dihydro-2H-1-benzopyran-4-amine; 7-bromo-3,4-dihydro-2H-chromen-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	7-bromo-3,4-dihydro-2H-chromen-4-amine
Description:	7-Bromochroman-4-amine (CAS# 1016804-06-0) is a useful research chemical.
Molecular Weight:	228.09
Molecular Formula:	C9H10BrNO
Canonical SMILES:	C1COC2=C(C1N)C=CC(=C2)Br
InChI:	InChI=1S/C9H10BrNO/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8H,3-4,11H2
InChI Key:	XFJNBPPWJRERLH-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
LogP:	2.93170

Publication Number	Title	Priority Date
WO-2021096241-A1	Novel compounds having inhibitory activity against glucosylceramide synthase or pharmaceutically acceptable salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same	20191115
TW-201940471-A	Myocardial ganglion inhibitor	20180119
US-2019256504-A1	Cardiac sarcomere inhibitors	20180119
WO-2019144041-A1	Dihydrobenzofuran and inden analogs as cardiac sarcomere inhibitors	20180119
AU-2019208331-A1	Dihydrobenzofuran and inden analogs as cardiac sarcomere inhibitors	20180119

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.99458
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.99458
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6