8-Amino-5-bromoisoquinoline - CAS 90721-35-0

Catalog:	BB039934
Product Name:	8-Amino-5-bromoisoquinoline
CAS:	90721-35-0
Synonyms:	5-bromoisoquinolin-8-amine

Technical Data

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Computed Properties

IUPAC Name:	5-bromoisoquinolin-8-amine
Description:	8-Amino-5-bromoisoquinoline (CAS# 90721-35-0) is a useful research chemical.
Molecular Weight:	223.07
Molecular Formula:	C9H7BrN2
Canonical SMILES:	C1=CC(=C2C=CN=CC2=C1N)Br
InChI:	InChI=1S/C9H7BrN2/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H,11H2
InChI Key:	BTFXYVXBWMRHIB-UHFFFAOYSA-N
Boiling Point:	370.3 °C at 760 mmHg
Melting Point:	186-190 °C
Purity:	96 %
Density:	1.649 g/cm³
Appearance:	White to brown powder or crystals
MDL:	MFCD09261047
LogP:	3.16070

Publication Number	Title	Priority Date
US-2021317079-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
WO-2021188769-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
WO-2020132045-A1	Inhibitors of sarm1 in combination with neuroprotective agents	20181219
WO-2020081923-A1	Inhibitors of sarm1 in combination with nad+ or a nad+ precursor	20181019
WO-2020055955-A1	Isoxazoline compounds for controlling invertebrate pests	20180912

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GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.97926
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1