4-Isoxazolecarbonitrile, 5-amino-3-methyl-


Chemical Name: 4-Isoxazolecarbonitrile, 5-amino-3-methyl-
CAS Number: 35261-01-9
Product Number: AG007DY1(AGN-PC-0JOP65)
Synonyms:
MDL No: MFCD00027378
Molecular Formula: C5H5N3O
Molecular Weight: 123.1127

Identification/Properties


Computed Properties
Molecular Weight:
123.115g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
123.043g/mol
Monoisotopic Mass:
123.043g/mol
Topological Polar Surface Area:
75.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
150
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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