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89445-07-8 | 1,3,5-Triazine-2,4-diamine, 6-(4-aminophenyl)-N-butyl-
CAS No: 89445-07-8 Catalog No: AG0042WY MDL No:
Product Description
Catalog Number:
AG0042WY
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-(4-aminophenyl)-N-butyl-
CAS Number:
89445-07-8
Molecular Formula:
C13H18N6
Molecular Weight:
258.3222
IUPAC Name:
6-(4-aminophenyl)-2-N-butyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C13H18N6/c1-2-3-8-16-13-18-11(17-12(15)19-13)9-4-6-10(14)7-5-9/h4-7H,2-3,8,14H2,1H3,(H3,15,16,17,18,19)
InChI Key:
OUJUXPFFKQOTDP-UHFFFAOYSA-N
SMILES:
CCCCNc1nc(N)nc(n1)c1ccc(cc1)N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.329g/mol
Monoisotopic Mass:
258.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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