3-(Aminomethyl)isoxazole Hydrochloride - CAS 1187933-48-7

Catalog:	BB004288
Product Name:	3-(Aminomethyl)isoxazole Hydrochloride
CAS:	1187933-48-7
Synonyms:	3-isoxazolylmethanamine;hydrochloride; 1,2-oxazol-3-ylmethanamine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,2-oxazol-3-ylmethanamine;hydrochloride
Description:	3-(Aminomethyl)isoxazole Hydrochloride (CAS# 1187933-48-7) is a useful research chemical.
Molecular Weight:	134.56
Molecular Formula:	C4H7ClN2O
Canonical SMILES:	C1=CON=C1CN.Cl
InChI:	InChI=1S/C4H6N2O.ClH/c5-3-4-1-2-7-6-4;/h1-2H,3,5H2;1H
InChI Key:	WMXMOAZXQDREPL-UHFFFAOYSA-N
LogP:	1.63560

Publication Number	Title	Priority Date
WO-2021050700-A1	Cyclooxygenase-2 inhibitors and uses thereof	20190913
WO-2019191410-A1	Inhibitors for the Î²-catenin / t-cell factor proteinâ€"protein interaction	20180329
US-2021017139-A1	Inhibitors for the b-catenin / t-cell factor protein-protein interaction	20180329
CN-103242256-A	Synthetic method of 3-aminomethyl-isoxazole hydrochloride	20130521
EP-2993167-A1	Pharmaceutical composition for the treatment of diabetes	20130501

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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+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	57.7
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:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0