4,5-Dimethyl-3-isoxazolamine

C5H8N2OCAS 13999-39-8112.13 g/mol

Open in Covalent MOL file
ONHNH

Properties

Molecular formula
C5H8N2O
Molar mass
112.13 g/mol
Exact mass
112.0637 Da
Melting point
115–117 °C
logP
0.70Crippen estimate
Polar surface area
52.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
13999-39-8
SMILES
Cc1o[nH]c(=N)c1C
InChIKey
VPANVNSDJSUFEF-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)

Weigh it out

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

Names and synonyms

6 names
  • 3-Isoxazolamine, 4,5-dimethyl-
  • Isoxazole, 3-amino-4,5-dimethyl-
  • 4,5-Dimethyl-3-aminoisoxazole
  • 3-Amino-4,5-dimethylisoxazole
  • (4,5-Dimethylisoxazol-3-yl)amine
  • 4,5-Dimethylisoxazol-3-amine

Work with 4,5-Dimethyl-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

4-Bromo-5-methyl-3-isoxazolamine5819-40-956 % similar 5-Bromo-3,4-dimethyl-2-pyridinamine374537-97-030 % similar 3-Amino-5-methylisoxazole1072-67-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 Ethyl N-cyanoacetimidate1558-82-3 Imidazole-1-ethanol1615-14-1 (1-Methyl-1H-imidazol-2-yl)methanol17334-08-6 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-1 4-Amino-3,5-dimethylisoxazole31329-64-3

Elsewhere

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