5-Methylisoxazol-4-amine Hydrochloride - CAS 100499-66-9

Catalog:	BB000239
Product Name:	5-Methylisoxazol-4-amine Hydrochloride
CAS:	100499-66-9
Synonyms:	5-methyl-4-isoxazolamine;hydrochloride; 5-methyl-1,2-oxazol-4-amine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methyl-1,2-oxazol-4-amine;hydrochloride
Description:	5-Methylisoxazol-4-amine Hydrochloride (CAS# 100499-66-9) is a useful research chemical.
Molecular Weight:	134.56
Molecular Formula:	C4H7ClN2O
Canonical SMILES:	CC1=C(C=NO1)N.Cl
InChI:	InChI=1S/C4H6N2O.ClH/c1-3-4(5)2-6-7-3;/h2H,5H2,1H3;1H
InChI Key:	DGZOHHHHZCANPV-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	1.94840

Publication Number	Title	Priority Date
WO-2019229464-A1	Urea derivative modulators of tryptophan catabolism	20180601
EP-3802503-A1	Urea derivative modulators of tryptophan catabolism	20180601
JP-2021525810-A	Tryptophan catabolism modulator	20180601
US-2021238139-A1	Modulators of tryptophan catabolism	20180601
US-2009275567-A1	2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation	20060526

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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