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83366-39-6 | 4,6-Pyrimidinediamine, N-methyl-5-(phenylazo)-
CAS No: 83366-39-6 Catalog No: AG00551C MDL No:
Product Description
Catalog Number:
AG00551C
Chemical Name:
4,6-Pyrimidinediamine, N-methyl-5-(phenylazo)-
CAS Number:
83366-39-6
Molecular Formula:
C11H12N6
Molecular Weight:
228.2532
IUPAC Name:
4-N-methyl-5-phenyldiazenylpyrimidine-4,6-diamine
InChI:
InChI=1S/C11H12N6/c1-13-11-9(10(12)14-7-15-11)17-16-8-5-3-2-4-6-8/h2-7H,1H3,(H3,12,13,14,15)
InChI Key:
FAIZUDRMWIINHG-UHFFFAOYSA-N
SMILES:
CNc1ncnc(c1N=Nc1ccccc1)N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.259g/mol
Monoisotopic Mass:
228.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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