596107-42-5
4-(DICYANOMETHYLENE)-2-T-BUTYL-6-(1,1,5,5,7-PENTAMETHYLJULOLIDIN-4-YL-VINYL)-4H-PYRAN
Name4-(DICYANOMETHYLENE)-2-T-BUTYL-6-(1,1,5,5,7-PENTAMETHYLJULOLIDIN-4-YL-VINYL)-4H-PYRAN
1Identification
【Name】
4-(DICYANOMETHYLENE)-2-T-BUTYL-6-(1,1,5,5,7-PENTAMETHYLJULOLIDIN-4-YL-VINYL)-4H-PYRAN
【CAS】
【MDL】
MFCD12022493
【English Synonyms】
【Formula】
C31 H37 N3 O
【MolWeight】
467.653
【Inchi】
InChI=1S/C31H37N3O/c1-20-17-31(7,8)34-12-11-30(5,6)26-14-21(13-25(20)28(26)34)9-10-24-15-22(23(18-32)19-33)16-27(35-24)29(2,3)4/h9-10,13-16,20H,11-12,17H2,1-8H3/b10-9+
【InChIKey】
InChIKey=DIWDPVMOQKJXBB-MDZDMXLPSA-N
【SMILES】
CC1CC(N2CCC(c3c2c1cc(c3)/C=C/C4=CC(=C(C#N)C#N)C=C(O4)C(C)(C)C)(C)C)(C)C
【MOL File】
4-(DICYANOMETHYLENE)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(DICYANOMETHYLENE)-2-T-BUTYL-6-(1,1,5,5,7-PENTAMETHYLJULOLIDIN-4-YL-VINYL)-4H-PYRAN.cml