3,4-Pyridinediamine, N3-(phenylmethyl)-


Chemical Name: 3,4-Pyridinediamine, N3-(phenylmethyl)-
CAS Number: 75115-28-5
Product Number: AG008NYS(AGN-PC-0NJCH4)
Synonyms:
MDL No:
Molecular Formula: C12H13N3
Molecular Weight: 199.2517

Identification/Properties


Computed Properties
Molecular Weight:
199.257g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
199.111g/mol
Monoisotopic Mass:
199.111g/mol
Topological Polar Surface Area:
50.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
178
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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