1273972-32-9
4-N-(1-AZABICYCLO[2.2.2]OCTAN-3-YL)-6-CHLOROPYRIMIDINE-4,5-DIAMINE
Name4-N-(1-AZABICYCLO[2.2.2]OCTAN-3-YL)-6-CHLOROPYRIMIDINE-4,5-DIAMINE
1Identification
【Name】
4-N-(1-AZABICYCLO[2.2.2]OCTAN-3-YL)-6-CHLOROPYRIMIDINE-4,5-DIAMINE
【CAS】
【MDL】
MFCD17421251
【English Synonyms】
【Formula】
C11 H16 Cl N5
【MolWeight】
253.735
【Inchi】
InChI=1S/C11H16ClN5/c12-10-9(13)11(15-6-14-10)16-8-5-17-3-1-7(8)2-4-17/h6-8H,1-5,13H2,(H,14,15,16)
【InChIKey】
InChIKey=KPSWHTOCBOUMFR-UHFFFAOYSA-N
【SMILES】
c1nc(c(c(n1)Cl)N)NC2CN3CCC2CC3
【MOL File】
4-N-(1-AZABICYCLO[2.….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-N-(1-AZABICYCLO[2.2.2]OCTAN-3-YL)-6-CHLOROPYRIMIDINE-4,5-DIAMINE.cml