1016684-78-8
Benzonitrile, 3-(1-piperazinylcarbonyl)-
NameBenzonitrile, 3-(1-piperazinylcarbonyl)-
1Identification
【Name】
Benzonitrile, 3-(1-piperazinylcarbonyl)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H13N3O
【MolWeight】
215.2511
【Inchi】
InChI=1S/C12H13N3O/c13-9-10-2-1-3-11(8-10)12(16)15-6-4-14-5-7-15/h1-3,8,14H,4-7H2
【InChIKey】
InChIKey=PETUBDODDHRBNM-UHFFFAOYSA-N
【SMILES】
N1(CCNCC1)C(=O)C=1C=C(C#N)C=CC1
【MOL File】
Benzonitrile, 3-(1-p….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Benzonitrile, 3-(1-piperazinylcarbonyl)-.cml