115308-75-3
4-NITROBENZALDEHYDE [7-(2-HYDROXYETHYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE
Name4-NITROBENZALDEHYDE [7-(2-HYDROXYETHYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE
1Identification
【Name】
4-NITROBENZALDEHYDE [7-(2-HYDROXYETHYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE
【CAS】
【MDL】
MFCD01551945
【English Synonyms】
【Formula】
C15 H15 N7 O5
【MolWeight】
373.328
【Inchi】
InChI=1S/C15H15N7O5/c1-20-12-11(13(24)18-15(20)25)21(6-7-23)14(17-12)19-16-8-9-2-4-10(5-3-9)22(26)27/h2-5,8,23H,6-7H2,1H3,(H,17,19)(H,18,24,25)/b16-8+
【InChIKey】
InChIKey=FAVUNUQWVOGTMA-LZYBPNLTSA-N
【SMILES】
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)N/N=C/c3ccc(cc3)[N+](=O)[O-])CCO
【MOL File】
4-NITROBENZALDEHYDE ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-NITROBENZALDEHYDE [7-(2-HYDROXYETHYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE.cml