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188685-82-7 | 2,4-Pyrimidinediamine, N2,N4-dihydroxy-N2-octyl-6-(octyloxy)-
CAS No: 188685-82-7 Catalog No: AG002H52 MDL No:
Product Description
Catalog Number:
AG002H52
Chemical Name:
2,4-Pyrimidinediamine, N2,N4-dihydroxy-N2-octyl-6-(octyloxy)-
CAS Number:
188685-82-7
Molecular Formula:
C20H38N4O3
Molecular Weight:
382.5407
IUPAC Name:
8-[[4-(hydroxyamino)-6-octoxypyrimidin-2-yl]amino]octan-1-ol
InChI:
InChI=1S/C20H38N4O3/c1-2-3-4-5-10-13-16-27-19-17-18(24-26)22-20(23-19)21-14-11-8-6-7-9-12-15-25/h17,25-26H,2-16H2,1H3,(H2,21,22,23,24)
InChI Key:
VIQHPMYQSFNNLA-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(NO)nc(n1)N(CCCCCCCC)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.294g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
382.549g/mol
Monoisotopic Mass:
382.294g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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