565173-01-5
3-AMINO-4-(2-METHOXYETHYL)-4,9,16-TRIAZATETRACYCLO[7.7.0.0(2,6).0(10,15)]HEXADECA-1(16),2,6,10(15),11,13-HEXAEN-8-ONE
Name3-AMINO-4-(2-METHOXYETHYL)-4,9,16-TRIAZATETRACYCLO[7.7.0.0(2,6).0(10,15)]HEXADECA-1(16),2,6,10(15),11,13-HEXAEN-8-ONE
1Identification
【Name】
3-AMINO-4-(2-METHOXYETHYL)-4,9,16-TRIAZATETRACYCLO[7.7.0.0(2,6).0(10,15)]HEXADECA-1(16),2,6,10(15),11,13-HEXAEN-8-ONE
【CAS】
【MDL】
MFCD03985206
【English Synonyms】
【Formula】
C16 H16 N4 O2
【MolWeight】
296.328
【Inchi】
InChI=1S/C16H16N4O2/c1-22-7-6-19-9-10-8-13(21)20-12-5-3-2-4-11(12)18-16(20)14(10)15(19)17/h2-5,8H,6-7,9,17H2,1H3
【InChIKey】
InChIKey=KGLCSUODXUWOIY-UHFFFAOYSA-N
【SMILES】
COCCN1Cc2cc(=O)n3c4ccccc4nc3c2=C1N
【MOL File】
3-AMINO-4-(2-METHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-4-(2-METHOXYETHYL)-4,9,16-TRIAZATETRACYCLO[7.7.0.0(2,6).0(10,15)]HEXADECA-1(16),2,6,10(15),11,13-HEXAEN-8-ONE.cml