59504-64-2
1,2,3,4-TETRAHYDRO-PYRIDO[1,2-A]BENZIMIDAZOLE-8-CARBONITRILE
Name1,2,3,4-TETRAHYDRO-PYRIDO[1,2-A]BENZIMIDAZOLE-8-CARBONITRILE
1Identification
【Name】
1,2,3,4-TETRAHYDRO-PYRIDO[1,2-A]BENZIMIDAZOLE-8-CARBONITRILE
【CAS】
【MDL】
MFCD18974975
【English Synonyms】
【Formula】
C12 H11 N3
【MolWeight】
197.24
【Inchi】
InChI=1S/C12H11N3/c13-8-9-4-5-10-11(7-9)15-6-2-1-3-12(15)14-10/h4-5,7H,1-3,6H2
【InChIKey】
InChIKey=RNCQYLMMWVSTCA-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1C#N)n3c(n2)CCCC3
【MOL File】
1,2,3,4-TETRAHYDRO-P….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-PYRIDO[1,2-A]BENZIMIDAZOLE-8-CARBONITRILE.cml