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5-[(4-Bromoanilino)methyl]-2,4-pyrimidinediamine
SpectraBase Compound ID DMBmm2tTyQe
InChI InChI=1S/C11H12BrN5/c12-8-1-3-9(4-2-8)15-5-7-6-16-11(14)17-10(7)13/h1-4,6,15H,5H2,(H4,13,14,16,17)
InChIKey YDACFXFCIPWOGS-UHFFFAOYSA-N
Mol Weight 294.16 g/mol
Molecular Formula C11H12BrN5
Exact Mass 293.027608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KDFy48ziVn
Name 5-[(4-Bromoanilino)methyl]-2,4-pyrimidinediamine
Alternate Name(s) 5-[[[4-Bromophenyl]amino]methyl]-2,4-pyrimidinediamine 5-[(4-bromoanilino)methyl]pyrimidine-2,4-diamine 5-[[(4-bromophenyl)amino]methyl]pyrimidine-2,4-diamine
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Formula C11H12BrN5
InChI InChI=1S/C11H12BrN5/c12-8-1-3-9(4-2-8)15-5-7-6-16-11(14)17-10(7)13/h1-4,6,15H,5H2,(H4,13,14,16,17)
InChIKey YDACFXFCIPWOGS-UHFFFAOYSA-N
Molecular Weight 294.156 g/mol
SMILES Nc1ncc(CNc2ccc(Br)cc2)c(n1)N
SPLASH splash10-00di-8910000000-1fd50509ca29f6f1cf92
Source of Spectrum NP-9-6640-0
Wiley ID 1108282