5-Amino-4-methylisoxazole - CAS 35143-75-0

Catalog:	BB022500
Product Name:	5-Amino-4-methylisoxazole
CAS:	35143-75-0
Synonyms:	4-methyl-5-isoxazolamine; 4-methyl-1,2-oxazol-5-amine

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-1,2-oxazol-5-amine
Description:	5-Amino-4-methylisoxazole (CAS# 35143-75-0) is a useful research chemical compound.
Molecular Weight:	98.10
Molecular Formula:	C4H6N2O
Canonical SMILES:	CC1=C(ON=C1)N
InChI:	InChI=1S/C4H6N2O/c1-3-2-6-7-4(3)5/h2H,5H2,1H3
InChI Key:	GYNLTWUPSJGXFV-UHFFFAOYSA-N
Boiling Point:	233.187 °C at 760 mmHg
Density:	1.167 g/cm³
LogP:	1.14640

Publication Number	Title	Priority Date
CA-3041650-A1	4,5-annulated 1,2,4-triazolones	20161027
CN-110248937-A	4,5- ring-type 1,2,4- triazolone	20161027
EP-3532474-A2	4,5-annulated 1,2,4-triazolones	20161027
JP-2019535689-A	4,5-fused 1,2,4-triazolone	20161027
TW-201827430-A	4,5-cyclized 1,2,4-triazolone	20161027

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Related Functional Groups

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[1011398-65-4]
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[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[383146-88-1]
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
[62348-13-4]
Isoxazole-5-carbonyl chloride
[92914-74-4]
Isoxazolo[5,4-b]pyridin-3-amine
[942519-64-4]
Methyl[(3-propylisoxazol-5-yl)methyl]amine

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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:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.048012819
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	98.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4