3-Amino-5-tert-butylisoxazole

C₇H₁₂N₂OCAS 55809-36-4140.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂N₂O
Molar mass: 140.19 g/mol
Exact mass: 140.0950 Da
logP: 1.55Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

55809-36-4

SMILES

CC(C)(C)C1=CC(=NO1)N

InChIKey

GGXGVZJHUKEJHO-UHFFFAOYSA-N

InChI

InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)

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Names and synonyms

1 names

3-Isoxazolamine, 5-(1,1-dimethylethyl)-

Work with 3-Amino-5-tert-butylisoxazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-132 % similar 5-Amino-3-methylisoxazole14678-02-531 % similar 2,4,6-Tris(1,1-dimethylethyl)benzenamine961-38-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N,N'-Di-2-propen-1-ylurea1801-72-5 2-Cyano-N,N-diethylacetamide26391-06-0 3-tert-Butyl-4,5-dihydro-1H-pyrazol-5-one29211-68-5 2,4-Dihydro-2-methyl-5-propyl-3H-pyrazol-3-one31272-04-5 4-Morpholinepropanenitrile4542-47-6 2-Morpholinoethyl isocyanide78375-48-1

Elsewhere

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