3-Amino-5-tert-butylisoxazole - CAS 55809-36-4

Catalog:	BB029183
Product Name:	3-Amino-5-tert-butylisoxazole
CAS:	55809-36-4
Synonyms:	5-tert-butyl-1,2-oxazol-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-tert-butyl-1,2-oxazol-3-amine
Description:	3-Amino-5-tert-butylisoxazole (CAS# 55809-36-4) is a degradation product of herbicide isouron.
Molecular Weight:	140.18
Molecular Formula:	C7H12N2O
Canonical SMILES:	CC(C)(C)C1=CC(=NO1)N
InChI:	InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)
InChI Key:	GGXGVZJHUKEJHO-UHFFFAOYSA-N
Boiling Point:	248.1 ℃ at 760 mmHg
Density:	1.042 g/cm³
MDL:	MFCD00055620
LogP:	2.13550

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Related Functional Groups

Amines and Anilines

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Isoxazoles

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3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
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Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate
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Ethyl 5-hydroxy-3-methyl-4-isoxazolecarboxylate sodium salt hydrate
[54535-14-7]
Ethyl 5-Hydroxy-4-isoxazolecarboxylate
[3209-72-1]
Ethyl 5-methylisoxazole-3-carboxylate
[288-14-2]
Isoxazole

GHS Hazard Statement:	H302 (97.52%): 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:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.094963011
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7