3-Isoxazolamine

C₃H₄N₂OCAS 1750-42-184.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₄N₂O
Molar mass: 84.08 g/mol
Exact mass: 84.0324 Da
Melting point: 148–150 °C
Boiling point: 101 °C (at 10 Torr)
logP: 0.09Crippen estimate
Polar surface area: 52.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1750-42-1

SMILES

N=c1cco[nH]1

InChIKey

RHFWLPWDOYJEAL-UHFFFAOYSA-N

InChI

InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)

Weigh it out

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

Names and synonyms

5 names

1,2-Oxazol-3-amine
Isoxazole, 3-amino-
3-Aminoisoxazole
3-Isoxazolylamine
3-Amino-1,2-oxazole

Work with 3-Isoxazolamine

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-Amino-5-methylisoxazole1072-67-933 % similar Pyrazol-3-ylamine1820-80-032 % similar

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

Same formula

Cyanoacetamide107-91-5 Pyrazol-5-ol137-45-1 5-Isoxazolamine14678-05-8 2-Oxazolamine4570-45-0 1,3-Dihydro-2H-imidazol-2-one5918-93-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook