3-​(4,​5-​dimethyl-​4H-​1,​2,​4-​triazol-​3-​yl)​-Benzenamine


Chemical Name: 3-​(4,​5-​dimethyl-​4H-​1,​2,​4-​triazol-​3-​yl)​-Benzenamine
CAS Number: 1247670-36-5
Product Number: AG01A18U(AGN-PC-0WAG6Y)
Synonyms:
MDL No:
Molecular Formula: C10H12N4
Molecular Weight: 188.2291

Identification/Properties


Computed Properties
Molecular Weight:
188.234g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
188.106g/mol
Monoisotopic Mass:
188.106g/mol
Topological Polar Surface Area:
56.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
197
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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