4H-1,2,4-Triazole-4-ethanol


Chemical Name: 4H-1,2,4-Triazole-4-ethanol
CAS Number: 66760-19-8
Product Number: AG006HVZ(AGN-PC-0JNGLJ)
Synonyms:
MDL No: MFCD03265455
Molecular Formula: C4H7N3O
Molecular Weight: 113.1179

Identification/Properties


Properties
BP:
299.6°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
113.12g/mol
XLogP3:
-1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
113.059g/mol
Monoisotopic Mass:
113.059g/mol
Topological Polar Surface Area:
50.9A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
62.3
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


NMR Spectrum


Other Analytical Data


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