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89352-30-7 | 1,3,5-Triazine-2,4,6-triamine, N,N'''-1,3-propanediylbis-
CAS No: 89352-30-7 Catalog No: AG003Z8E MDL No:
Product Description
Catalog Number:
AG003Z8E
Chemical Name:
1,3,5-Triazine-2,4,6-triamine, N,N'''-1,3-propanediylbis-
CAS Number:
89352-30-7
Molecular Formula:
C9H16N12
Molecular Weight:
292.3037
IUPAC Name:
2-N-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl]-1,3,5-triazine-2,4,6-triamine
InChI:
InChI=1S/C9H16N12/c10-4-16-5(11)19-8(18-4)14-2-1-3-15-9-20-6(12)17-7(13)21-9/h1-3H2,(H5,10,11,14,16,18,19)(H5,12,13,15,17,20,21)
InChI Key:
YWZIIYJZQKWCIE-UHFFFAOYSA-N
SMILES:
Nc1nc(NCCCNc2nc(N)nc(n2)N)nc(n1)N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
292.311g/mol
Monoisotopic Mass:
292.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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