4-Amino-3-methylisoxazole Hydrochloride - CAS 108512-04-5

Catalog:	BB002279
Product Name:	4-Amino-3-methylisoxazole Hydrochloride
CAS:	108512-04-5
Synonyms:	3-methyl-4-isoxazolamine;hydrochloride; 3-methyl-1,2-oxazol-4-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-1,2-oxazol-4-amine;hydrochloride
Description:	4-Amino-3-methylisoxazole Hydrochloride (CAS# 108512-04-5) is a useful research chemical.
Molecular Weight:	134.56
Molecular Formula:	C4H7ClN2O
Canonical SMILES:	CC1=NOC=C1N.Cl
InChI:	InChI=1S/C4H6N2O.ClH/c1-3-4(5)2-7-6-3;/h2H,5H2,1H3;1H
InChI Key:	MSYIPTBDNXLQNW-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	1.94840

Publication Number	Title	Priority Date
US-2021238139-A1	Modulators of tryptophan catabolism	20180601
EP-2611772-A1	2 - (benzyloxy) benzamides as lrrk2 kinase inhibitors	20100902
EP-2611772-B1	2-(benzyloxy)benzamides as lrrk2 kinase inhibitors	20100902
JP-2013540712-A	2- (Benzyloxy) benzamides as LRRK2 kinase inhibitors	20100902
JP-5781611-B2	2- (Benzyloxy) benzamides as LRRK2 kinase inhibitors	20100902

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): 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:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.0246905
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	134.0246905
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0