4-Isoxazolemethanamine, 3,5-dimethyl-


Chemical Name: 4-Isoxazolemethanamine, 3,5-dimethyl-
CAS Number: 131052-47-6
Product Number: AG0080L7(AGN-PC-0NEJ6A)
Synonyms:
MDL No:
Molecular Formula: C6H10N2O
Molecular Weight: 126.1564

Identification/Properties


Computed Properties
Molecular Weight:
126.159g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
126.079g/mol
Monoisotopic Mass:
126.079g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
97.1
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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