904912-70-5
1-CYANOMETHYL-2-PHENYL-1,2-DIHYDROISOQUINOLINE
Name1-CYANOMETHYL-2-PHENYL-1,2-DIHYDROISOQUINOLINE
1Identification
【Name】
1-CYANOMETHYL-2-PHENYL-1,2-DIHYDROISOQUINOLINE
【CAS】
【MDL】
MFCD11707058
【English Synonyms】
【Formula】
C17 H14 N2
【MolWeight】
246.312
【Inchi】
InChI=1S/C17H14N2/c18-12-10-17-16-9-5-4-6-14(16)11-13-19(17)15-7-2-1-3-8-15/h1-9,11,13,17H,10H2
【InChIKey】
InChIKey=ZNHMRVNRHIBUQV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)N2C=Cc3ccccc3C2CC#N
【MOL File】
1-CYANOMETHYL-2-PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-CYANOMETHYL-2-PHENYL-1,2-DIHYDROISOQUINOLINE.cml