850464-28-7
1,2,3,4-TETRAHYDRO-2-METHYL-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBONITRILE
Name1,2,3,4-TETRAHYDRO-2-METHYL-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBONITRILE
1Identification
【Name】
1,2,3,4-TETRAHYDRO-2-METHYL-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBONITRILE
【CAS】
【MDL】
MFCD17017945
【English Synonyms】
【Formula】
C14 H13 N3
【MolWeight】
223.278
【Inchi】
InChI=1S/C14H13N3/c1-17-7-6-14-12(9-17)11(8-15)10-4-2-3-5-13(10)16-14/h2-5H,6-7,9H2,1H3
【InChIKey】
InChIKey=XVWXIFQTEUNFST-UHFFFAOYSA-N
【SMILES】
CN1CCc2c(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
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4-TETRAHYDRO-2-METHYL-BENZO[B][1,6]NAPHTHYRIDINE-10-CARBONITRILE.cml