872493-97-5
2,6-BIS-BENZYLAMINO-4-(3,4,5-TRIMETHOXY-PHENYL)-PYRIDINE-3,5-DICARBONITRILE
Name2,6-BIS-BENZYLAMINO-4-(3,4,5-TRIMETHOXY-PHENYL)-PYRIDINE-3,5-DICARBONITRILE
1Identification
【Name】
2,6-BIS-BENZYLAMINO-4-(3,4,5-TRIMETHOXY-PHENYL)-PYRIDINE-3,5-DICARBONITRILE
【CAS】
【MDL】
MFCD15833318
【English Synonyms】
【Formula】
C30H27N5O3
【MolWeight】
505.575
【Inchi】
InChI=1S/C30H27N5O3/c1-36-25-14-22(15-26(37-2)28(25)38-3)27-23(16-31)29(33-18-20-10-6-4-7-11-20)35-30(24(27)17-32)34-19-21-12-8-5-9-13-21/h4-15H,18-19H2,1-3H3,(H2,33,34,35)
【InChIKey】
InChIKey=VNQQJGYAOLEFKF-UHFFFAOYSA-N
【SMILES】
C(C1=CC=CC=C1)NC1=NC(=C(C(=C1C#N)C1=CC(=C(C(=C1)OC)OC)OC)C#N)NCC1=CC=CC=C1
【MOL File】
2,6-BIS-BENZYLAMINO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0843
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-BIS-BENZYLAMINO-4-(3,4,5-TRIMETHOXY-PHENYL)-PYRIDINE-3,5-DICARBONITRILE.cml