1,2,4-Benzenetriamine, N4-[(4-fluorophenyl)methyl]-


Chemical Name: 1,2,4-Benzenetriamine, N4-[(4-fluorophenyl)methyl]-
CAS Number: 491871-67-1
Product Number: AG00DEAD(AGN-PC-0053F3)
Synonyms:
MDL No:
Molecular Formula: C13H14FN3
Molecular Weight: 231.2687632

Identification/Properties


Computed Properties
Molecular Weight:
231.274g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
231.117g/mol
Monoisotopic Mass:
231.117g/mol
Topological Polar Surface Area:
64.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
229
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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