4-Isoxazolemethanamine, 3-methyl-


Chemical Name: 4-Isoxazolemethanamine, 3-methyl-
CAS Number: 139458-30-3
Product Number: AG001B1L(AGN-PC-09SGI5)
Synonyms:
MDL No:
Molecular Formula: C5H8N2O
Molecular Weight: 112.1298

Identification/Properties


Computed Properties
Molecular Weight:
112.132g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
112.064g/mol
Monoisotopic Mass:
112.064g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
76.8
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#:
2735
Hazard Statements:
H302-H335-H314
Precautionary Statements:
P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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