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116539-84-5 | 1,3,5-Triazine-2,4,6-triamine, N2-ethyl-N4-hydroxy-N6-phenyl-
CAS No: 116539-84-5 Catalog No: AG000CR3 MDL No:
Product Description
Catalog Number:
AG000CR3
Chemical Name:
1,3,5-Triazine-2,4,6-triamine, N2-ethyl-N4-hydroxy-N6-phenyl-
CAS Number:
116539-84-5
Molecular Formula:
C11H14N6O
Molecular Weight:
246.2685
IUPAC Name:
N-[4-anilino-6-(ethylamino)-1,3,5-triazin-2-yl]hydroxylamine
InChI:
InChI=1S/C11H14N6O/c1-2-12-9-14-10(16-11(15-9)17-18)13-8-6-4-3-5-7-8/h3-7,18H,2H2,1H3,(H3,12,13,14,15,16,17)
InChI Key:
XRBLTIFBNFYHBH-UHFFFAOYSA-N
SMILES:
CCNc1nc(Nc2ccccc2)nc(n1)NO
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.123g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
246.274g/mol
Monoisotopic Mass:
246.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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