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89444-96-2 | 1,3,5-Triazine-2,4-diamine, N,N-dimethyl-6-(3-nitrophenyl)-
CAS No: 89444-96-2 Catalog No: AG0042X0 MDL No:
Product Description
Catalog Number:
AG0042X0
Chemical Name:
1,3,5-Triazine-2,4-diamine, N,N-dimethyl-6-(3-nitrophenyl)-
CAS Number:
89444-96-2
Molecular Formula:
C11H12N6O2
Molecular Weight:
260.2520
IUPAC Name:
2-N,2-N-dimethyl-6-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C11H12N6O2/c1-16(2)11-14-9(13-10(12)15-11)7-4-3-5-8(6-7)17(18)19/h3-6H,1-2H3,(H2,12,13,14,15)
InChI Key:
FILBVTWXNNGPKK-UHFFFAOYSA-N
SMILES:
Nc1nc(nc(n1)N(C)C)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.257g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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