5-Aminoisoquinoline - CAS 1125-60-6

Catalog:	BB002995
Product Name:	5-Aminoisoquinoline
CAS:	1125-60-6
Synonyms:	isoquinolin-5-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	isoquinolin-5-amine
Description:	Used for synthesis of Rho kinase inhibitors.
Molecular Weight:	144.17
Molecular Formula:	C9H8N2
Canonical SMILES:	C1=CC2=C(C=CN=C2)C(=C1)N
InChI:	InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2
InChI Key:	DTVYNUOOZIKEEX-UHFFFAOYSA-N
Melting Point:	127-130 °C
Purity:	98 %
Density:	1.21 g/cm³
Appearance:	Light yellow solid
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00006907
LogP:	2.39820

Publication Number	Title	Priority Date
CN-112300072-A	High-yield synthesis method of 5-iodoisoquinoline compounds	20201014
CN-111450123-A	Use of hathwayi or taurine for preparing medicine for preventing and treating intracranial aneurysm formation and rupture	20200522
CN-111423432-A	(S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof	20200511
CN-111454233-A	4- (2- (pyrrolidine/piperidine-1-yl) benzyl) -piperazinylurea TRPV1 antagonist and preparation and application thereof	20200508
US-2021323942-A1	Heterocyclic compounds for modulating nr2f6	20200225

PMID	Publication Date	Title	Journal
23007540	20121001	Isoquinolin-5-amine	Acta crystallographica. Section C, Crystal structure communications
22273506	20120124	Rapid alterations of cell cycle control proteins in human T lymphocytes in microgravity	Cell communication and signaling : CCS
21395487	20111201	Inhibition of poly(ADP-ribose) polymerase-1 attenuates the toxicity of carbon tetrachloride	Journal of enzyme inhibition and medicinal chemistry
20107208	20100501	Oocyte numbers in the mouse increase after treatment with 5-aminoisoquinolinone: a potent inhibitor of poly(ADP-ribosyl)ation	Biology of reproduction
20102296	20100201	Evaluation of 5-aminoisoquinoline (5-AIQ), a novel PARP-1 inhibitor for genotoxicity potential in vitro and in vivo	Toxicology mechanisms and methods

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GHS Hazard Statement:	H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.068748264
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4