51802-61-0
5-METHYL-7-PHENYL-6,7-DIHYDRO-1H-1,4-DIAZEPINE-2,3-DICARBONITRILE
Name5-METHYL-7-PHENYL-6,7-DIHYDRO-1H-1,4-DIAZEPINE-2,3-DICARBONITRILE
1Identification
【Name】
5-METHYL-7-PHENYL-6,7-DIHYDRO-1H-1,4-DIAZEPINE-2,3-DICARBONITRILE
【CAS】
【MDL】
MFCD03791179
【English Synonyms】
【Formula】
C14 H12 N4
【MolWeight】
236.277
【Inchi】
InChI=1S/C14H12N4/c1-10-7-12(11-5-3-2-4-6-11)18-14(9-16)13(8-15)17-10/h2-6,12,18H,7H2,1H3
【InChIKey】
InChIKey=GFYHLMBCTFREMN-UHFFFAOYSA-N
【SMILES】
CC1=NC(=C(NC(C1)c2ccccc2)C#N)C#N
【MOL File】
5-METHYL-7-PHENYL-6,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-7-PHENYL-6,7-DIHYDRO-1H-1,4-DIAZEPINE-2,3-DICARBONITRILE.cml