3-Amino-5-tert-butylisoxazole

C₇H₁₂N₂OCAS 55809-36-4140.19 g/mol

Open in Covalent MOL file

Primary amine

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

Warning

H302 Harmful if swallowed89.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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 1-Methyl-3-n-propyl-2-pyrazolin-5-one31272-04-5 4-Morpholinepropanenitrile4542-47-6 2-Morpholinoethyl isocyanide78375-48-1

Elsewhere

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