4H-1,2,4-Triazol-4-amine, 3,5-bis(methoxymethyl)-


Chemical Name: 4H-1,2,4-Triazol-4-amine, 3,5-bis(methoxymethyl)-
CAS Number: 111853-51-1
Product Number: AG007RKX(AGN-PC-0KKL9E)
Synonyms:
MDL No:
Molecular Formula: C6H12N4O2
Molecular Weight: 172.1851

Identification/Properties


Computed Properties
Molecular Weight:
172.188g/mol
XLogP3:
-1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
172.096g/mol
Monoisotopic Mass:
172.096g/mol
Topological Polar Surface Area:
75.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
121
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

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NMR Spectrum


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