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89445-10-3 | 1,3,5-Triazine-2,4-diamine, N-butyl-6-(3,5-diaminophenyl)-
CAS No: 89445-10-3 Catalog No: AG0044IP MDL No:
Product Description
Catalog Number:
AG0044IP
Chemical Name:
1,3,5-Triazine-2,4-diamine, N-butyl-6-(3,5-diaminophenyl)-
CAS Number:
89445-10-3
Molecular Formula:
C13H19N7
Molecular Weight:
273.3369
IUPAC Name:
2-N-butyl-6-(3,5-diaminophenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C13H19N7/c1-2-3-4-17-13-19-11(18-12(16)20-13)8-5-9(14)7-10(15)6-8/h5-7H,2-4,14-15H2,1H3,(H3,16,17,18,19,20)
InChI Key:
LCYKXTRMOUSZKF-UHFFFAOYSA-N
SMILES:
CCCCNc1nc(N)nc(n1)c1cc(N)cc(c1)N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.17g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.344g/mol
Monoisotopic Mass:
273.17g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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