IUPAC Name :N-benzyl-7H-purin-6-amine
InChI :InChI=1/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
Std.InChI: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKey :NWBJYWHLCVSVIJ-UHFFFAOYAZ
Std.InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N
SMILES :C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3
MDL: MFCD00005572
Molar Refractivity :65.47 ± 0.5 cm3 (est)
Parachor :452.0 ± 8.0 cm3 (est)
Index of Refraction :1.731 ± 0.05
(est)
Surface Tension :57.9 ± 7.0 dyne/cm (est)
Density :1.37 ± 0.1 g/cm3 (est)
Polarizability :25.95 ± 0.5 10-24cm3 (est)