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136647-73-9 | 2,4-Pyrimidinediamine, N2,N4-bis(4-hexylphenyl)-6-(4-methoxyphenoxy)-
CAS No: 136647-73-9 Catalog No: AG00126Q MDL No:
Product Description
Catalog Number:
AG00126Q
Chemical Name:
2,4-Pyrimidinediamine, N2,N4-bis(4-hexylphenyl)-6-(4-methoxyphenoxy)-
CAS Number:
136647-73-9
Molecular Formula:
C35H44N4O2
Molecular Weight:
552.7495
IUPAC Name:
2-N,4-N-bis(4-hexylphenyl)-6-(4-methoxyphenoxy)pyrimidine-2,4-diamine
InChI:
InChI=1S/C35H44N4O2/c1-4-6-8-10-12-27-14-18-29(19-15-27)36-33-26-34(41-32-24-22-31(40-3)23-25-32)39-35(38-33)37-30-20-16-28(17-21-30)13-11-9-7-5-2/h14-26H,4-13H2,1-3H3,(H2,36,37,38,39)
InChI Key:
JCDSAHNNDIUTLE-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)Nc1nc(Nc2ccc(cc2)CCCCCC)nc(c1)Oc1ccc(cc1)OC
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.346g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
552.763g/mol
Monoisotopic Mass:
552.346g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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