849587-90-2
1,2,3,4-TETRAHYDRO-2-(1-METHYLETHYL)-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBONITRILE
Name1,2,3,4-TETRAHYDRO-2-(1-METHYLETHYL)-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBONITRILE
1Identification
【Name】
1,2,3,4-TETRAHYDRO-2-(1-METHYLETHYL)-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBONITRILE
【CAS】
【MDL】
MFCD16877917
【English Synonyms】
【Formula】
C16 H17 N3
【MolWeight】
251.331
【Inchi】
InChI=1S/C16H17N3/c1-11(2)19-8-7-16-14(10-19)13(9-17)12-5-3-4-6-15(12)18-16/h3-6,11H,7-8,10H2,1-2H3
【InChIKey】
InChIKey=KCKMCIGXRJRXEK-UHFFFAOYSA-N
【SMILES】
CC(C)N1CCc2c(c(c3ccccc3n2)C#N)C1
【MOL File】
1,2,3,4-TETRAHYDRO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4-TETRAHYDRO-2-(1-METHYLETHYL)-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBONITRILE.cml