562856-84-2
1-[(2,4-DIAMINO-5-PYRIMIDINYL)METHYL]-PYRIDINIUM BROMIDE MONOHYDROBROMIDE
Name1-[(2,4-DIAMINO-5-PYRIMIDINYL)METHYL]-PYRIDINIUM BROMIDE MONOHYDROBROMIDE
FormulaC10 H12 N5 . Br . Br H
1Identification
【Name】
1-[(2,4-DIAMINO-5-PYRIMIDINYL)METHYL]-PYRIDINIUM BROMIDE MONOHYDROBROMIDE
【CAS】
【MDL】
MFCD06410823
【English Synonyms】
【Formula】
C10 H12 N5 . Br . Br H
【MolWeight】
363.056
【Inchi】
InChI=1S/C10H12N5.2BrH/c11-9-8(6-13-10(12)14-9)7-15-4-2-1-3-5-15;;/h1-6H,7H2,(H4,11,12,13,14);2*1H/q+1;;/p-1
【InChIKey】
InChIKey=FIWQERMFYWEUSN-UHFFFAOYSA-M
【SMILES】
c1cc[n+](cc1)Cc2cnc(nc2N)N.Br.[Br-]
【MOL File】
1-[(2,4-DIAMINO-5-PY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-[(2,4-DIAMINO-5-PYRIMIDINYL)METHYL]-PYRIDINIUM BROMIDE MONOHYDROBROMIDE.cml