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83366-42-1 | 4,6-Pyrimidinediamine, N,N'-dimethyl-5-(phenylazo)-
CAS No: 83366-42-1 Catalog No: AG004S5E MDL No:
Product Description
Catalog Number:
AG004S5E
Chemical Name:
4,6-Pyrimidinediamine, N,N'-dimethyl-5-(phenylazo)-
CAS Number:
83366-42-1
Molecular Formula:
C12H14N6
Molecular Weight:
242.2798
IUPAC Name:
4-N,6-N-dimethyl-5-phenyldiazenylpyrimidine-4,6-diamine
InChI:
InChI=1S/C12H14N6/c1-13-11-10(12(14-2)16-8-15-11)18-17-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15,16)
InChI Key:
NMZWMYFVAHXVKM-UHFFFAOYSA-N
SMILES:
CNc1ncnc(c1N=Nc1ccccc1)NC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.286g/mol
Monoisotopic Mass:
242.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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