4-Aminoisochromane Hydrochloride - CAS 1159599-95-7

Catalog:	BB003662
Product Name:	4-Aminoisochromane Hydrochloride
CAS:	1159599-95-7
Synonyms:	3,4-dihydro-1H-2-benzopyran-4-amine;hydrochloride; 3,4-dihydro-1H-isochromen-4-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3,4-dihydro-1H-isochromen-4-amine;hydrochloride
Description:	4-Aminoisochromane Hydrochloride (CAS# 1159599-95-7) is a useful research chemical.
Molecular Weight:	185.65
Molecular Formula:	C9H12ClNO
Canonical SMILES:	C1C(C2=CC=CC=C2CO1)N.Cl
InChI:	InChI=1S/C9H11NO.ClH/c10-9-6-11-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H
InChI Key:	RLECIOZWNPNKKL-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	2.71890

Publication Number	Title	Priority Date
WO-2020206363-A1	Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease	20190403
AU-2017301767-A1	Compounds and compositions and uses thereof	20160729
CA-3032141-A1	Compounds and compositions and uses thereof	20160729
EP-3490607-A1	Compounds and compositions and uses thereof	20160729
JP-2019523279-A	Compounds and compositions and their use	20160729

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Related Functional Groups

Benzopyrans

[34818-49-0]
1-Methoxyisochroman
[1994-13-4]
6-Fluoro-4-hydroxycoumarin
[207804-97-5]
6-Nitroisochromane
[18735-82-5]
7-Bromo-4-hydroxy-2H-chromen-2-one
[1260803-24-4]
8-Bromo-isochroman-4-one
[49660-56-2]
8-Methyl-4-chromanone

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0607417
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.0607417
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0