4-(Aminomethyl)-3,5-dimethylisoxazole - CAS 131052-47-6

Catalog:	BB007243
Product Name:	4-(Aminomethyl)-3,5-dimethylisoxazole
CAS:	131052-47-6
Synonyms:	(3,5-dimethyl-4-isoxazolyl)methanamine; (3,5-dimethyl-1,2-oxazol-4-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
Description:	4-(Aminomethyl)-3,5-dimethylisoxazole (CAS# 131052-47-6) is a useful research chemical.
Molecular Weight:	126.16
Molecular Formula:	C6H10N2O
Canonical SMILES:	CC1=C(C(=NO1)C)CN
InChI:	InChI=1S/C6H10N2O/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3
InChI Key:	CXRIJWLNQSZJTG-UHFFFAOYSA-N
Boiling Point:	239.9 °C at 760 mmHg
Density:	1.069 g/cm³
MDL:	MFCD06213033
LogP:	1.45040

Publication Number	Title	Priority Date
WO-2021114691-A1	Nitrogen-containing ring-fused compound, preparation method therefor and use thereof	20191213
US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
US-2020299246-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
WO-2020186199-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
TW-202100515-A	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314

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Related Functional Groups

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[618383-47-4]
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[326829-08-7]
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[40279-32-1]
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[640291-92-5]
Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
[625120-13-0]
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.079312947
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0